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

C12H19N3O — CID 135973605

IUPAC2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-2-6-10-9-11(16)14-12(13-10)15-7-4-3-5-8-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyIHXSCKQYQZTJJI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds3

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

2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135973605) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one
PubChem CID135973605
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-2-6-10-9-11(16)14-12(13-10)15-7-4-3-5-8-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyIHXSCKQYQZTJJI-UHFFFAOYSA-N
XLogP1.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2-(Dibutylamino)-6-methylpyrimidin-4(1H)-one
CID 135547801
6-butyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135990496
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
6-Ethyl-2-(piperidin-1-YL)pyrimidin-4-OL
CID 135573221
2-Pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392450
2-(4,4-difluoropiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 178584947
2-(cyclohexylamino)-3-ethyl-6-propyl-4(3H)-pyrimidinone
CID 731914
2-(Cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide
CID 2942024
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one
CID 155900879
6-(3-methylbutyl)-2-(piperidin-1-yl)pyrimidin-4(3H)-one
CID 135645679

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one (CID 135973605) is 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is IHXSCKQYQZTJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-6-10-9-11(16)14-12(13-10)15-7-4-3-5-8-15/h9H,2-8H2,1H3,(H,13,14,16).
What are the key properties of 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one?
2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).