2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C10H14N2O — CID 13183101

IUPAC2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C)CCCC2
InChIInChI=1S/C10H14N2O/c1-7-8(2)11-9-5-3-4-6-12(9)10(7)13/h3-6H2,1-2H3
InChIKeyHKFQPRDYXXFPSO-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.20
Rot. Bonds

About 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 13183101) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID13183101
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C)CCCC2
InChIInChI=1S/C10H14N2O/c1-7-8(2)11-9-5-3-4-6-12(9)10(7)13/h3-6H2,1-2H3
InChIKeyHKFQPRDYXXFPSO-UHFFFAOYSA-N
XLogP1.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 13183101) is 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1C)CCCC2.
What is the InChIKey of 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HKFQPRDYXXFPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-8(2)11-9-5-3-4-6-12(9)10(7)13/h3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13183101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).