6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid

C6H9N3O3 — CID 170219006

IUPAC6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid
SMILESCN1CC(C(=O)O)C(N)=NC1=O
InChIInChI=1S/C6H9N3O3/c1-9-2-3(5(10)11)4(7)8-6(9)12/h3H,2H2,1H3,(H,10,11)(H2,7,8,12)
InChIKeyXNWNNRKIAWOZIL-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.89
Rot. Bonds1

About 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid

6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid (PubChem CID 170219006) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid
PubChem CID170219006
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid
SMILESCN1CC(C(=O)O)C(N)=NC1=O
InChIInChI=1S/C6H9N3O3/c1-9-2-3(5(10)11)4(7)8-6(9)12/h3H,2H2,1H3,(H,10,11)(H2,7,8,12)
InChIKeyXNWNNRKIAWOZIL-UHFFFAOYSA-N
XLogP-0.89
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
The IUPAC name of 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid (CID 170219006) is 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
The canonical SMILES for 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid is CN1CC(C(=O)O)C(N)=NC1=O.
What is the InChIKey of 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
The InChIKey is XNWNNRKIAWOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-9-2-3(5(10)11)4(7)8-6(9)12/h3H,2H2,1H3,(H,10,11)(H2,7,8,12).
What are the key properties of 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid?
6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid has a molecular weight of 171.16 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-2-oxo-4,5-dihydropyrimidine-5-carboxylic acid is sourced from PubChem (CID 170219006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).