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

C10H15N3O — CID 84664924

IUPAC2-(azepan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCCCN2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-5-7-12-10(13-9)8-4-2-1-3-6-11-8/h5,7-8,11H,1-4,6H2,(H,12,13,14)
InChIKeyFPNXZAPLFDTCNJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.97
Rot. Bonds1

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

2-(azepan-2-yl)-1H-pyrimidin-6-one (PubChem CID 84664924) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-2-yl)-1H-pyrimidin-6-one
PubChem CID84664924
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(azepan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCCCN2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-5-7-12-10(13-9)8-4-2-1-3-6-11-8/h5,7-8,11H,1-4,6H2,(H,12,13,14)
InChIKeyFPNXZAPLFDTCNJ-UHFFFAOYSA-N
XLogP0.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.97
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
7,8,9,10-tetrahydro-6H-pyrimido[1,2-d][1,4]diazepin-4-one
CID 123675992
2-[4-(1,4-diazepan-1-yl)butyl]-1H-pyrimidin-6-one
CID 139830068
2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63362648
2-(Pyrrolidin-2-yl)pyrimidin-4-ol
CID 63362689
2-(1-Aminopropyl)-3,4-dihydropyrimidin-4-one
CID 63362735
2-(1-Aminobutyl)pyrimidin-4-ol
CID 63362736
2-(2-Aminobutyl)-3,4-dihydropyrimidin-4-one
CID 63362862
2-(azepan-3-yl)-1H-pyrimidin-6-one
CID 84664923
2-(azepan-4-yl)-1H-pyrimidin-6-one
CID 84664930
2-(azepan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 84675420
2-(azepan-3-ylmethyl)-1H-pyrimidin-6-one
CID 84675425

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-2-yl)-1H-pyrimidin-6-one (CID 84664924) is 2-(azepan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-2-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2CCCCCN2)[nH]1.
What is the InChIKey of 2-(azepan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FPNXZAPLFDTCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-9-5-7-12-10(13-9)8-4-2-1-3-6-11-8/h5,7-8,11H,1-4,6H2,(H,12,13,14).
What are the key properties of 2-(azepan-2-yl)-1H-pyrimidin-6-one?
2-(azepan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.97, 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 84664924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).