6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one

C12H19N3O — CID 83849709

IUPAC6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one
SMILESCCc1[nH]c(=O)nc(C2CCCNC2)c1C
InChIInChI=1S/C12H19N3O/c1-3-10-8(2)11(15-12(16)14-10)9-5-4-6-13-7-9/h9,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyUFOKYPXROBWMAY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.11
Rot. Bonds2

About 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one

6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one (PubChem CID 83849709) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one
PubChem CID83849709
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one
SMILESCCc1[nH]c(=O)nc(C2CCCNC2)c1C
InChIInChI=1S/C12H19N3O/c1-3-10-8(2)11(15-12(16)14-10)9-5-4-6-13-7-9/h9,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyUFOKYPXROBWMAY-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
3-(5-ethyl-2H-triazol-4-yl)piperidine
CID 84768245
4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
4-cyclopropyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
CID 105458221
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 56918134
5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine
CID 83839530
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136740938
(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
CID 96743464
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one (CID 83849709) is 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one is CCc1[nH]c(=O)nc(C2CCCNC2)c1C.
What is the InChIKey of 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one?
The InChIKey is UFOKYPXROBWMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-8(2)11(15-12(16)14-10)9-5-4-6-13-7-9/h9,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one?
6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 83849709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).