5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine

C17H15ClN4 — CID 10125644

IUPAC5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4/c18-13-8-6-11(7-9-13)15-14(10-19)16(20)22-17(21-15)12-4-2-1-3-5-12/h1-9H,10,19H2,(H2,20,21,22)
InChIKeyXJUZSPSKYMVGEQ-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.50
Rot. Bonds3

About 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine

5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine (PubChem CID 10125644) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine
PubChem CID10125644
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4/c18-13-8-6-11(7-9-13)15-14(10-19)16(20)22-17(21-15)12-4-2-1-3-5-12/h1-9H,10,19H2,(H2,20,21,22)
InChIKeyXJUZSPSKYMVGEQ-UHFFFAOYSA-N
XLogP3.50
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine 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

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Pyrimidine, 5-(p-chlorophenyl)-2,4-diamino-
CID 204821
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
2-Tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 25098114
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine (CID 10125644) is 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine is NCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is XJUZSPSKYMVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-13-8-6-11(7-9-13)15-14(10-19)16(20)22-17(21-15)12-4-2-1-3-5-12/h1-9H,10,19H2,(H2,20,21,22).
What are the key properties of 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine?
5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 310.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(4-chlorophenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 10125644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).