2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C10H14N2O — CID 125449930

IUPAC2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C10H14N2O/c1-2-8-7-10(13)12-6-4-3-5-9(12)11-8/h7H,2-6H2,1H3
InChIKeyGJZPHVZBONDPHQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.14
Rot. Bonds1

About 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 125449930) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID125449930
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C10H14N2O/c1-2-8-7-10(13)12-6-4-3-5-9(12)11-8/h7H,2-6H2,1H3
InChIKeyGJZPHVZBONDPHQ-UHFFFAOYSA-N
XLogP1.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 125449930) is 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2c(n1)CCCC2.
What is the InChIKey of 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GJZPHVZBONDPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-8-7-10(13)12-6-4-3-5-9(12)11-8/h7H,2-6H2,1H3.
What are the key properties of 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125449930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).