2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one

C11H17N3O — CID 84675420

IUPAC2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCCCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)9-5-3-2-4-6-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyFSICQQYNXXSGHE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.28
Rot. Bonds1

About 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one

2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 84675420) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID84675420
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCCCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)9-5-3-2-4-6-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyFSICQQYNXXSGHE-UHFFFAOYSA-N
XLogP1.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one
CID 70489863
5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 148774555
5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84656985
5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 84664922
2-(azepan-2-yl)-1H-pyrimidin-6-one
CID 84664924
5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84664926
5-ethyl-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 84675418
2-(azepan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 84675419
5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84675424
2-(azepan-4-yl)-5-methyl-1H-pyrimidin-6-one
CID 84675433
2-(azepan-2-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84686955
2-(azepan-3-ylmethyl)-5-methyl-1H-pyrimidin-6-one
CID 84686960

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one (CID 84675420) is 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one is Cc1cnc(C2CCCCCN2)[nH]c1=O.
What is the InChIKey of 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is FSICQQYNXXSGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)9-5-3-2-4-6-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one?
2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84675420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).