2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine

C18H16Cl2N4O — CID 112903799

IUPAC2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16Cl2N4O/c1-11-9-15(16(25-2)10-14(11)20)23-18-21-8-7-17(24-18)22-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyCXEJIIMYCUEPRL-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.59
Rot. Bonds5

About 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine

2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (PubChem CID 112903799) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
PubChem CID112903799
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16Cl2N4O/c1-11-9-15(16(25-2)10-14(11)20)23-18-21-8-7-17(24-18)22-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyCXEJIIMYCUEPRL-UHFFFAOYSA-N
XLogP5.59
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-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

4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905095
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903458
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902552
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112906745
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883322
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902605
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112904018
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902465
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930901
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889389

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (CID 112903799) is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is COc1cc(Cl)c(C)cc1Nc1nccc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is CXEJIIMYCUEPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-11-9-15(16(25-2)10-14(11)20)23-18-21-8-7-17(24-18)22-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 375.26 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).