2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide

C15H24N4O — CID 109297356

IUPAC2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-3-12(2)17-14(20)13-8-9-16-15(18-13)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,20)
InChIKeyLPVDIKIGHWMCEY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.39
Rot. Bonds4

About 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide

2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide (PubChem CID 109297356) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
PubChem CID109297356
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-3-12(2)17-14(20)13-8-9-16-15(18-13)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,20)
InChIKeyLPVDIKIGHWMCEY-UHFFFAOYSA-N
XLogP2.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297335
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297333
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 166434715
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide (CID 109297356) is 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide?
The InChIKey is LPVDIKIGHWMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-12(2)17-14(20)13-8-9-16-15(18-13)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide?
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.39, 4 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-butan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109297356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).