2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O — CID 84686953

IUPAC2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(C2CCCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-8(2)9-7-14-11(15-12(9)16)10-5-3-4-6-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyYFQXMKODFMUBLR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds2

About 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one

2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 84686953) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID84686953
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(C2CCCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-8(2)9-7-14-11(15-12(9)16)10-5-3-4-6-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyYFQXMKODFMUBLR-UHFFFAOYSA-N
XLogP1.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-5-ethyl-1H-pyrimidin-6-one
CID 169148990
2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
5-ethyl-2-hexan-3-yl-1H-pyrimidin-6-one
CID 177910407
5-ethyl-4-hydroxy-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63553911
4-hydroxy-2-piperidin-2-yl-5-propyl-1H-pyrimidin-6-one
CID 63553912
4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554096
4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63555013
2-cyclobutyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 84120059
2-cyclopentyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 84130399

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one (CID 84686953) is 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(C2CCCCN2)[nH]c1=O.
What is the InChIKey of 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YFQXMKODFMUBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)9-7-14-11(15-12(9)16)10-5-3-4-6-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84686953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).