9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C9H7N3O3 — CID 115023809

IUPAC9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESNc1cccn2c(=O)cc(C(=O)O)nc12
InChIInChI=1S/C9H7N3O3/c10-5-2-1-3-12-7(13)4-6(9(14)15)11-8(5)12/h1-4H,10H2,(H,14,15)
InChIKeyXTHVQVYKMFGPDL-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.03
Rot. Bonds1

About 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 115023809) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID115023809
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESNc1cccn2c(=O)cc(C(=O)O)nc12
InChIInChI=1S/C9H7N3O3/c10-5-2-1-3-12-7(13)4-6(9(14)15)11-8(5)12/h1-4H,10H2,(H,14,15)
InChIKeyXTHVQVYKMFGPDL-UHFFFAOYSA-N
XLogP-0.03
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
CID 115031785
2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid
CID 115031157
1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 176739480
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255640
8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255613
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252626
8-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 83843636
prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 118992227
8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255601

Frequently Asked Questions

What is the IUPAC name of 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 115023809) is 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is Nc1cccn2c(=O)cc(C(=O)O)nc12.
What is the InChIKey of 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is XTHVQVYKMFGPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-5-2-1-3-12-7(13)4-6(9(14)15)11-8(5)12/h1-4H,10H2,(H,14,15).
What are the key properties of 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115023809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).