Skip to content

4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C18H18ClN5O2 — CID 112861015

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NCc3ccncc3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C18H18ClN5O2/c1-25-15-8-14(16(26-2)7-13(15)19)24-18-9-17(22-11-23-18)21-10-12-3-5-20-6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyWUEQJFPNOHFFHV-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.90
Rot. Bonds7

About 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112861015) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112861015
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NCc3ccncc3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C18H18ClN5O2/c1-25-15-8-14(16(26-2)7-13(15)19)24-18-9-17(22-11-23-18)21-10-12-3-5-20-6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyWUEQJFPNOHFFHV-UHFFFAOYSA-N
XLogP3.90
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112861015) is 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is COc1cc(Nc2cc(NCc3ccncc3)ncn2)c(OC)cc1Cl.
What is the InChIKey of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is WUEQJFPNOHFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-25-15-8-14(16(26-2)7-13(15)19)24-18-9-17(22-11-23-18)21-10-12-3-5-20-6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 371.83 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.