6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine

C19H25ClN4 — CID 112874928

IUPAC6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(N2CCCCCC2)n1
InChIInChI=1S/C19H25ClN4/c1-15-22-18(21-11-10-16-6-8-17(20)9-7-16)14-19(23-15)24-12-4-2-3-5-13-24/h6-9,14H,2-5,10-13H2,1H3,(H,21,22,23)
InChIKeyJMQFWVFYBBLQKH-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.47
Rot. Bonds5

About 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine

6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 112874928) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID112874928
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC Name6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(N2CCCCCC2)n1
InChIInChI=1S/C19H25ClN4/c1-15-22-18(21-11-10-16-6-8-17(20)9-7-16)14-19(23-15)24-12-4-2-3-5-13-24/h6-9,14H,2-5,10-13H2,1H3,(H,21,22,23)
InChIKeyJMQFWVFYBBLQKH-UHFFFAOYSA-N
XLogP4.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-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

N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868832
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
4-chloro-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56698960
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876534
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine (CID 112874928) is 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine is Cc1nc(NCCc2ccc(Cl)cc2)cc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is JMQFWVFYBBLQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4/c1-15-22-18(21-11-10-16-6-8-17(20)9-7-16)14-19(23-15)24-12-4-2-3-5-13-24/h6-9,14H,2-5,10-13H2,1H3,(H,21,22,23).
What are the key properties of 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 344.89 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112874928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).