Y600-5231 Screening compound: N-(2-amino-6-chloro-4-pyrimidinyl)-N-(4-methoxybenzyl)amine

Y600-5231 Screening compound: N-(2-amino-6-chloro-4-pyrimidinyl)-N-(4-methoxybenzyl)amine
Y600-5231 Screening compound: N-(2-amino-6-chloro-4-pyrimidinyl)-N-(4-methoxybenzyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-5231
N-(2-amino-6-chloro-4-pyrimidinyl)-N-(4-methoxybenzyl)amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y600-5231

Molecular Formula

C12H13ClN4O (C12 H13 ClN4 O)

Compound Name

N-(2-amino-6-chloro-4-pyrimidinyl)-N-(4-methoxybenzyl)amine

IUPAC name

6-chloro-N4-[(4-methoxyphenyl)methyl]pyrimidine-24-diamine

SMILES

COc1ccc(CNc2cc(Cl)nc(N)n2)cc1

InChI

InChI=1S/C12H13ClN4O/c1-18-9-4-2-8(3-5-9)7-15-11-6-10(13)16-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17)

InChI Key

MVZFIUTXXGIPMY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-3.12

Polar Surface Area

57.488

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y600-5231 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-5231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-5231?
Check Price and Availability of Y600-5231, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y600-5231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-5231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-5231
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y600-5231 available by request