ethane;2-methylpyrido[1,2-a]pyrimidin-4-one

C11H14N2O — CID 90734882

IUPACethane;2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H8N2O.C2H6/c1-7-6-9(12)11-5-3-2-4-8(11)10-7;1-2/h2-6H,1H3;1-2H3
InChIKeyLMYAIFINLFWPMN-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.03
Rot. Bonds

About ethane;2-methylpyrido[1,2-a]pyrimidin-4-one

ethane;2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 90734882) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is ethane;2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID90734882
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Nameethane;2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H8N2O.C2H6/c1-7-6-9(12)11-5-3-2-4-8(11)10-7;1-2/h2-6H,1H3;1-2H3
InChIKeyLMYAIFINLFWPMN-UHFFFAOYSA-N
XLogP2.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2-methylpyrido[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

Related Compounds

2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 94959
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
Cambridge id 5110229
CID 2827825
3,6-Dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 520938
7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 4413815
2,7-dichloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 7131618
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
9-Hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 796646
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;2-methylpyrido[1,2-a]pyrimidin-4-one (CID 90734882) is ethane;2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;2-methylpyrido[1,2-a]pyrimidin-4-one is CC.Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of ethane;2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LMYAIFINLFWPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C2H6/c1-7-6-9(12)11-5-3-2-4-8(11)10-7;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;2-methylpyrido[1,2-a]pyrimidin-4-one?
ethane;2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 190.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 90734882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).