2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C17H15BrN4 — CID 23650197

IUPAC2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2cccnc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrN4/c1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyOKGRXAGCJBIGJA-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.22
Rot. Bonds4

About 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 23650197) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID23650197
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2cccnc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrN4/c1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyOKGRXAGCJBIGJA-UHFFFAOYSA-N
XLogP4.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 23650197) is 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCc2cccnc2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is OKGRXAGCJBIGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 355.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 23650197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).