3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one

C12H19N3O — CID 30322567

IUPAC3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C12H19N3O/c1-3-15-11(16)9-10(2)13-12(15)14-7-5-4-6-8-14/h9H,3-8H2,1-2H3
InChIKeyZGDNYBJHDXNDHX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds2

About 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one

3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 30322567) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
PubChem CID30322567
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C12H19N3O/c1-3-15-11(16)9-10(2)13-12(15)14-7-5-4-6-8-14/h9H,3-8H2,1-2H3
InChIKeyZGDNYBJHDXNDHX-UHFFFAOYSA-N
XLogP1.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one (CID 30322567) is 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one is CCn1c(N2CCCCC2)nc(C)cc1=O.
What is the InChIKey of 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is ZGDNYBJHDXNDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15-11(16)9-10(2)13-12(15)14-7-5-4-6-8-14/h9H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 30322567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).