2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide

C14H22N4O — CID 109246951

IUPAC2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-11(2)17-13(19)12-9-15-14(16-10-12)18-7-5-3-4-6-8-18/h9-11H,3-8H2,1-2H3,(H,17,19)
InChIKeyDBZHBYFKYDWWSZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.00
Rot. Bonds3

About 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide

2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 109246951) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID109246951
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-11(2)17-13(19)12-9-15-14(16-10-12)18-7-5-3-4-6-8-18/h9-11H,3-8H2,1-2H3,(H,17,19)
InChIKeyDBZHBYFKYDWWSZ-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide 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-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109246934
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53146285
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide (CID 109246951) is 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(N2CCCCCC2)nc1.
What is the InChIKey of 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is DBZHBYFKYDWWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)17-13(19)12-9-15-14(16-10-12)18-7-5-3-4-6-8-18/h9-11H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).