2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide

C17H26N4O2 — CID 95739732

IUPAC2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCCCCC2)n1
InChIInChI=1S/C17H26N4O2/c1-13-11-15(16(22)18-12-14-7-6-10-23-14)20-17(19-13)21-8-4-2-3-5-9-21/h11,14H,2-10,12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyXWCJOMPXTQFLML-AWEZNQCLSA-N
MW318.42 g/mol
LogP2.07
Rot. Bonds4

About 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide

2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 95739732) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
PubChem CID95739732
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCCCCC2)n1
InChIInChI=1S/C17H26N4O2/c1-13-11-15(16(22)18-12-14-7-6-10-23-14)20-17(19-13)21-8-4-2-3-5-9-21/h11,14H,2-10,12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyXWCJOMPXTQFLML-AWEZNQCLSA-N
XLogP2.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-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

6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324696
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
6-methyl-N-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109324709
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide (CID 95739732) is 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is XWCJOMPXTQFLML-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-11-15(16(22)18-12-14-7-6-10-23-14)20-17(19-13)21-8-4-2-3-5-9-21/h11,14H,2-10,12H2,1H3,(H,18,22)/t14-/m0/s1.
What are the key properties of 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95739732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).