2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C12H18N2O — CID 123873988

IUPAC2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C)CC(C)(C)CC2
InChIInChI=1S/C12H18N2O/c1-8-9(2)13-10-5-6-12(3,4)7-14(10)11(8)15/h5-7H2,1-4H3
InChIKeyYFHKOWBNRPSZNN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.83
Rot. Bonds

About 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123873988) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID123873988
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C)CC(C)(C)CC2
InChIInChI=1S/C12H18N2O/c1-8-9(2)13-10-5-6-12(3,4)7-14(10)11(8)15/h5-7H2,1-4H3
InChIKeyYFHKOWBNRPSZNN-UHFFFAOYSA-N
XLogP1.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 123873988) is 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1C)CC(C)(C)CC2.
What is the InChIKey of 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YFHKOWBNRPSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-9(2)13-10-5-6-12(3,4)7-14(10)11(8)15/h5-7H2,1-4H3.
What are the key properties of 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7-tetramethyl-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123873988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).