4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid

C6H7N3O3 — CID 142522240

IUPAC4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid
SMILESCc1cn(C(=O)O)c(=O)nc1N
InChIInChI=1S/C6H7N3O3/c1-3-2-9(6(11)12)5(10)8-4(3)7/h2H,1H3,(H,11,12)(H2,7,8,10)
InChIKeyLGNRSRATUQPJRV-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.34
Rot. Bonds

About 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid

4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid (PubChem CID 142522240) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid
PubChem CID142522240
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid
SMILESCc1cn(C(=O)O)c(=O)nc1N
InChIInChI=1S/C6H7N3O3/c1-3-2-9(6(11)12)5(10)8-4(3)7/h2H,1H3,(H,11,12)(H2,7,8,10)
InChIKeyLGNRSRATUQPJRV-UHFFFAOYSA-N
XLogP-0.34
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid
CID 123217178
4-Amino-5-methyl-2-oxopyrimidine-1-carbaldehyde
CID 123622154
4-Amino-1-(hydroxymethyl)-5-methylpyrimidin-2-one
CID 153936850
4-Amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid
CID 175609272

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid?
The IUPAC name of 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid (CID 142522240) is 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid?
The canonical SMILES for 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid is Cc1cn(C(=O)O)c(=O)nc1N.
What is the InChIKey of 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid?
The InChIKey is LGNRSRATUQPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3-2-9(6(11)12)5(10)8-4(3)7/h2H,1H3,(H,11,12)(H2,7,8,10).
What are the key properties of 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid?
4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-oxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 142522240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).