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

C10H14N2O — CID 23273683

IUPAC3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)CCCC2C
InChIInChI=1S/C10H14N2O/c1-7-4-3-5-12-9(7)11-6-8(2)10(12)13/h6-7H,3-5H2,1-2H3
InChIKeyLHJBKFUHWYCYPV-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.45
Rot. Bonds

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

3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 23273683) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID23273683
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)CCCC2C
InChIInChI=1S/C10H14N2O/c1-7-4-3-5-12-9(7)11-6-8(2)10(12)13/h6-7H,3-5H2,1-2H3
InChIKeyLHJBKFUHWYCYPV-UHFFFAOYSA-N
XLogP1.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 23273683) is 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1cnc2n(c1=O)CCCC2C.
What is the InChIKey of 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LHJBKFUHWYCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-4-3-5-12-9(7)11-6-8(2)10(12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23273683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).