4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one

C11H17N3O — CID 136957372

IUPAC4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-9-12-10(8-11(15)13-9)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyANPFJSOUGLZPGU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.46
Rot. Bonds1

About 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957372) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957372
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-9-12-10(8-11(15)13-9)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyANPFJSOUGLZPGU-UHFFFAOYSA-N
XLogP1.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Hexyl-2-oxo-1,2-dihydro-pyrimidin-4-yl)-acetamide
CID 68974383
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-Amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one
CID 84687785
2-(Aminomethyl)-6-(azepan-1-yl)-3-methylpyrimidin-4-one
CID 84699561
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one;hydrate
CID 134116242
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 134116243
4-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
2-methyl-4-(octadecylamino)-1H-pyrimidin-6-one
CID 135818520
6-Amino-2-(azepan-1-yl)pyrimidin-4(3H)-one
CID 135973598
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136957372) is 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ANPFJSOUGLZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-12-10(8-11(15)13-9)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15).
What are the key properties of 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).