4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C18H16Cl2N4O — CID 112892366

IUPAC4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nccc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H16Cl2N4O/c1-25-16-5-3-2-4-12(16)11-22-18-21-9-8-17(24-18)23-13-6-7-14(19)15(20)10-13/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyNHSLDHKPWPDVEQ-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.15
Rot. Bonds6

About 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892366) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892366
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nccc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H16Cl2N4O/c1-25-16-5-3-2-4-12(16)11-22-18-21-9-8-17(24-18)23-13-6-7-14(19)15(20)10-13/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyNHSLDHKPWPDVEQ-UHFFFAOYSA-N
XLogP5.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]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-ethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892306
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892194
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892179
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
4-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894846
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872842
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883170
4-N-(3-fluorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895100

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892366) is 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccccc1CNc1nccc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NHSLDHKPWPDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-25-16-5-3-2-4-12(16)11-22-18-21-9-8-17(24-18)23-13-6-7-14(19)15(20)10-13/h2-10H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 375.26 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).