2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane

C12H16N2O — CID 155702809

IUPAC2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.Cc1ccc2nc(C)cc(=O)n2c1
InChIInChI=1S/C10H10N2O.C2H6/c1-7-3-4-9-11-8(2)5-10(13)12(9)6-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyYXSMPVWCLJFJBJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.34
Rot. Bonds

About 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane

2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane (PubChem CID 155702809) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane
PubChem CID155702809
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.Cc1ccc2nc(C)cc(=O)n2c1
InChIInChI=1S/C10H10N2O.C2H6/c1-7-3-4-9-11-8(2)5-10(13)12(9)6-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyYXSMPVWCLJFJBJ-UHFFFAOYSA-N
XLogP2.34
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane?
The IUPAC name of 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane (CID 155702809) is 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane.
What is the SMILES notation for 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane?
The canonical SMILES for 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane is CC.Cc1ccc2nc(C)cc(=O)n2c1.
What is the InChIKey of 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane?
The InChIKey is YXSMPVWCLJFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c1-7-3-4-9-11-8(2)5-10(13)12(9)6-7;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane?
2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 204.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 155702809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).