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

C10H15N3O — CID 84664930

IUPAC2-(azepan-4-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCNCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-4-7-12-10(13-9)8-2-1-5-11-6-3-8/h4,7-8,11H,1-3,5-6H2,(H,12,13,14)
InChIKeyRQZZBJGEWKXMON-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.63
Rot. Bonds1

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

2-(azepan-4-yl)-1H-pyrimidin-6-one (PubChem CID 84664930) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(azepan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-4-yl)-1H-pyrimidin-6-one
PubChem CID84664930
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(azepan-4-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCNCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-4-7-12-10(13-9)8-2-1-5-11-6-3-8/h4,7-8,11H,1-3,5-6H2,(H,12,13,14)
InChIKeyRQZZBJGEWKXMON-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
2-Cyclobutylpyrimidin-4-ol
CID 45787579
2-Piperidin-4-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137971720
2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
2-[(1r,4r)-4-Aminocyclohexyl]pyrimidin-4-ol
CID 82469023
2-(3,3-difluorocyclopentyl)-1H-pyrimidin-6-one
CID 133624759
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
10-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 20488290
2-(Piperidin-4-yl)-3,4-dihydropyrimidin-4-one
CID 63362688
2-(Cyclobutylmethyl)pyrimidin-4-ol
CID 67513421
2-(Cyclopropylmethyl)pyrimidin-4-ol
CID 70520786
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91106069

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-4-yl)-1H-pyrimidin-6-one (CID 84664930) is 2-(azepan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-4-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2CCCNCC2)[nH]1.
What is the InChIKey of 2-(azepan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is RQZZBJGEWKXMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-9-4-7-12-10(13-9)8-2-1-5-11-6-3-8/h4,7-8,11H,1-3,5-6H2,(H,12,13,14).
What are the key properties of 2-(azepan-4-yl)-1H-pyrimidin-6-one?
2-(azepan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84664930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).