3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

C11H14N2O4 — CID 54683245

IUPAC3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1(C)CCCn2c1nc(C(=O)O)c(O)c2=O
InChIInChI=1S/C11H14N2O4/c1-11(2)4-3-5-13-8(15)7(14)6(9(16)17)12-10(11)13/h14H,3-5H2,1-2H3,(H,16,17)
InChIKeyPDUWBNCJFQONBC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.72
Rot. Bonds1

About 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 54683245) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID54683245
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1(C)CCCn2c1nc(C(=O)O)c(O)c2=O
InChIInChI=1S/C11H14N2O4/c1-11(2)4-3-5-13-8(15)7(14)6(9(16)17)12-10(11)13/h14H,3-5H2,1-2H3,(H,16,17)
InChIKeyPDUWBNCJFQONBC-UHFFFAOYSA-N
XLogP0.72
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 54683245) is 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid is CC1(C)CCCn2c1nc(C(=O)O)c(O)c2=O.
What is the InChIKey of 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is PDUWBNCJFQONBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2)4-3-5-13-8(15)7(14)6(9(16)17)12-10(11)13/h14H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 54683245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).