2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one

C12H12N2O2 — CID 135403901

IUPAC2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)=Cc1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H12N2O2/c1-8(2)7-9-11(15)13-10-5-3-4-6-14(10)12(9)16/h3-7,15H,1-2H3
InChIKeySRMCGNVDTDORSX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.82
Rot. Bonds1

About 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one

2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135403901) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID135403901
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)=Cc1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H12N2O2/c1-8(2)7-9-11(15)13-10-5-3-4-6-14(10)12(9)16/h3-7,15H,1-2H3
InChIKeySRMCGNVDTDORSX-UHFFFAOYSA-N
XLogP1.82
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one (CID 135403901) is 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one is CC(C)=Cc1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SRMCGNVDTDORSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(2)7-9-11(15)13-10-5-3-4-6-14(10)12(9)16/h3-7,15H,1-2H3.
What are the key properties of 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one?
2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 216.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135403901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).