2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one

C11H18N4O — CID 84687785

IUPAC2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(N2CCCCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-14-10(16)8-9(13-11(14)12)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyXHDGQCHKPSVSFQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.74
Rot. Bonds1

About 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one

2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one (PubChem CID 84687785) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one
PubChem CID84687785
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(N2CCCCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-14-10(16)8-9(13-11(14)12)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyXHDGQCHKPSVSFQ-UHFFFAOYSA-N
XLogP0.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Azepan-1-yl)-6-methylpyrimidin-4-ol
CID 135629606
Rivlvkkwiiobke-uhfffaoysa-
CID 10376739
2-isocyanato-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azepane-1-carboxamide
CID 135974561
2-Amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one
CID 12502633
2-Amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one
CID 12502635
2-Amino-3-butyl-6-(diethylamino)pyrimidin-4-one
CID 12502637
2-Amino-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84676232
2-(Aminomethyl)-6-(azepan-1-yl)-3-methylpyrimidin-4-one
CID 84699561
2-amino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135514776
6-Amino-2-(azepan-1-yl)pyrimidin-4(3H)-one
CID 135973598
4-amino-2-(azepan-1-yl)-5-methyl-1H-pyrimidin-6-one
CID 136077693
2-amino-6-azepan-1-ylpyrimidin-4(3H)-one
CID 136326820

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one (CID 84687785) is 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one is Cn1c(N)nc(N2CCCCCC2)cc1=O.
What is the InChIKey of 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one?
The InChIKey is XHDGQCHKPSVSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-10(16)8-9(13-11(14)12)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3,(H2,12,13).
What are the key properties of 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one?
2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 84687785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).