8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid

C9H11N3O3 — CID 141271338

IUPAC8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCC1c2nc[nH]c(=O)c2CCN1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-5-7-6(8(13)11-4-10-7)2-3-12(5)9(14)15/h4-5H,2-3H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyGUCFCHLTLARDSA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.37
Rot. Bonds

About 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid

8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 141271338) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID141271338
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCC1c2nc[nH]c(=O)c2CCN1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-5-7-6(8(13)11-4-10-7)2-3-12(5)9(14)15/h4-5H,2-3H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyGUCFCHLTLARDSA-UHFFFAOYSA-N
XLogP0.37
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 141271338) is 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid is CC1c2nc[nH]c(=O)c2CCN1C(=O)O.
What is the InChIKey of 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is GUCFCHLTLARDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5-7-6(8(13)11-4-10-7)2-3-12(5)9(14)15/h4-5H,2-3H2,1H3,(H,14,15)(H,10,11,13).
What are the key properties of 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 141271338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).