2-piperidin-4-yl-1H-pyrimidin-6-one

C9H13N3O — CID 63362688

IUPAC2-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCNCC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-8-3-6-11-9(12-8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,12,13)
InChIKeyMJICLXPMCSTXOS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.24
Rot. Bonds1

About 2-piperidin-4-yl-1H-pyrimidin-6-one

2-piperidin-4-yl-1H-pyrimidin-6-one (PubChem CID 63362688) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-piperidin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-4-yl-1H-pyrimidin-6-one
PubChem CID63362688
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCNCC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-8-3-6-11-9(12-8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,12,13)
InChIKeyMJICLXPMCSTXOS-UHFFFAOYSA-N
XLogP0.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
2-Cyclobutylpyrimidin-4-ol
CID 45787579
2-Piperidin-4-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137971720
2-[(1r,4r)-4-Aminocyclohexyl]pyrimidin-4-ol
CID 82469023
2-piperidin-4-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103186
2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136313371
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
CID 529098
2-Butylpyrimidin-4-ol
CID 10511035
2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one
CID 18726933
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
2-(2-Methylpropyl)pyrimidin-4-ol
CID 20081655

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-4-yl-1H-pyrimidin-6-one (CID 63362688) is 2-piperidin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-4-yl-1H-pyrimidin-6-one is O=c1ccnc(C2CCNCC2)[nH]1.
What is the InChIKey of 2-piperidin-4-yl-1H-pyrimidin-6-one?
The InChIKey is MJICLXPMCSTXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-8-3-6-11-9(12-8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,12,13).
What are the key properties of 2-piperidin-4-yl-1H-pyrimidin-6-one?
2-piperidin-4-yl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63362688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).