2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one

C11H18N2O — CID 70188325

IUPAC2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1(C)CC(=O)N2CCCCC2=N1
InChIInChI=1S/C11H18N2O/c1-3-11(2)8-10(14)13-7-5-4-6-9(13)12-11/h3-8H2,1-2H3
InChIKeyRKPXXDPKFRQRES-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.97
Rot. Bonds1

About 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one

2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70188325) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID70188325
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1(C)CC(=O)N2CCCCC2=N1
InChIInChI=1S/C11H18N2O/c1-3-11(2)8-10(14)13-7-5-4-6-9(13)12-11/h3-8H2,1-2H3
InChIKeyRKPXXDPKFRQRES-UHFFFAOYSA-N
XLogP1.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-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-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one (CID 70188325) is 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one is CCC1(C)CC(=O)N2CCCCC2=N1.
What is the InChIKey of 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RKPXXDPKFRQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-11(2)8-10(14)13-7-5-4-6-9(13)12-11/h3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one?
2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70188325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).