2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C12H19N3O — CID 137008951

IUPAC2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-3-10-13-11(8-12(16)14-10)15-6-4-9(2)5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeySTFSTZMZDCKWHW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds2

About 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137008951) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137008951
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-3-10-13-11(8-12(16)14-10)15-6-4-9(2)5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeySTFSTZMZDCKWHW-UHFFFAOYSA-N
XLogP1.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 137008951) is 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CCc1nc(N2CCC(C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is STFSTZMZDCKWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-13-11(8-12(16)14-10)15-6-4-9(2)5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).