2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide

C15H24N4O2 — CID 136661789

IUPAC2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)N2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-11(19-7-5-3-4-6-8-19)15(21)16-10-13-9-14(20)18-12(2)17-13/h9,11H,3-8,10H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyOTNKUWFUSACFOK-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.96
Rot. Bonds4

About 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide

2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide (PubChem CID 136661789) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
PubChem CID136661789
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)N2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-11(19-7-5-3-4-6-8-19)15(21)16-10-13-9-14(20)18-12(2)17-13/h9,11H,3-8,10H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyOTNKUWFUSACFOK-UHFFFAOYSA-N
XLogP0.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-azepan-1-yl-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}acetamide
CID 136085481
2-azepan-1-yl-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]acetamide
CID 136145919
6-(1-azepanylmethyl)-2-isopropyl-4(3H)-pyrimidinone
CID 136046577
(3S)-3-ethyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 136585933
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
CID 127267062
N-cyclohexyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide;hydrochloride
CID 68640946
3-[2-(1,4-Diazepan-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 54982349
3-[4-(Ethylamino)pentyl]-2,6-dimethylpyrimidin-4-one
CID 55236065
3-[2-(Cyclopentylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 55236070

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide (CID 136661789) is 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)N2CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
The InChIKey is OTNKUWFUSACFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(19-7-5-3-4-6-8-19)15(21)16-10-13-9-14(20)18-12(2)17-13/h9,11H,3-8,10H2,1-2H3,(H,16,21)(H,17,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 136661789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).