1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one

C13H19N3O — CID 126848690

IUPAC1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one
SMILESCCC(C)c1cc(N2CCC(=O)CC2)ncn1
InChIInChI=1S/C13H19N3O/c1-3-10(2)12-8-13(15-9-14-12)16-6-4-11(17)5-7-16/h8-10H,3-7H2,1-2H3
InChIKeyVACWFVHUVUMMTP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds3

About 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one

1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one (PubChem CID 126848690) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one
PubChem CID126848690
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one
SMILESCCC(C)c1cc(N2CCC(=O)CC2)ncn1
InChIInChI=1S/C13H19N3O/c1-3-10(2)12-8-13(15-9-14-12)16-6-4-11(17)5-7-16/h8-10H,3-7H2,1-2H3
InChIKeyVACWFVHUVUMMTP-UHFFFAOYSA-N
XLogP2.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-piperidin-1-ylpyrimidin-4-yl)butane-1-thiol
CID 123203256
1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one
CID 126848340
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286
tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
CID 126849818
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 144865603
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
1-(2-chloroethyl)-4-(6-propan-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 55184602
2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 123159905
1-(2-methylbutyl)piperidin-4-one
CID 62105123
tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126849680
1-methyl-6-[[5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]pyrimidin-2-one
CID 126932111

Frequently Asked Questions

What is the IUPAC name of 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one (CID 126848690) is 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one is CCC(C)c1cc(N2CCC(=O)CC2)ncn1.
What is the InChIKey of 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one?
The InChIKey is VACWFVHUVUMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-10(2)12-8-13(15-9-14-12)16-6-4-11(17)5-7-16/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one?
1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 126848690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).