6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine

C19H19ClN4O2 — CID 112865872

IUPAC6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3cccc(Cl)c3C)ncn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-12-14(20)5-4-6-15(12)23-18-10-19(22-11-21-18)24-16-9-13(25-2)7-8-17(16)26-3/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyKUKOHRJQCPNMEM-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.94
Rot. Bonds6

About 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine

6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112865872) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112865872
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(Nc3cccc(Cl)c3C)ncn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-12-14(20)5-4-6-15(12)23-18-10-19(22-11-21-18)24-16-9-13(25-2)7-8-17(16)26-3/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyKUKOHRJQCPNMEM-UHFFFAOYSA-N
XLogP4.94
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)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

Related Compounds

6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865874
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109292936
N-(3-chloro-2-methylphenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807475
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903886
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
N-(2,5-dimethoxyphenyl)-4-methylpyridin-2-amine
CID 91756707

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine (CID 112865872) is 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(OC)c(Nc2cc(Nc3cccc(Cl)c3C)ncn2)c1.
What is the InChIKey of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is KUKOHRJQCPNMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-14(20)5-4-6-15(12)23-18-10-19(22-11-21-18)24-16-9-13(25-2)7-8-17(16)26-3/h4-11H,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine?
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 370.84 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).