1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid

C7H9N3O3 — CID 69180051

IUPAC1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid
SMILESCN(C)n1c(C(=O)O)nccc1=O
InChIInChI=1S/C7H9N3O3/c1-9(2)10-5(11)3-4-8-6(10)7(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeySQTPIMSOHTUYCQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.86
Rot. Bonds2

About 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid

1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid (PubChem CID 69180051) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid
PubChem CID69180051
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid
SMILESCN(C)n1c(C(=O)O)nccc1=O
InChIInChI=1S/C7H9N3O3/c1-9(2)10-5(11)3-4-8-6(10)7(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeySQTPIMSOHTUYCQ-UHFFFAOYSA-N
XLogP-0.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate
CID 69181388
1-Bromo-6-oxopyrimidine-2-carboxylic acid
CID 150238665
1-Methyl-6-oxopyrimidine-2-carboxylic acid
CID 175938738

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid?
The IUPAC name of 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid (CID 69180051) is 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid.
What is the SMILES notation for 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid?
The canonical SMILES for 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid is CN(C)n1c(C(=O)O)nccc1=O.
What is the InChIKey of 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid?
The InChIKey is SQTPIMSOHTUYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-9(2)10-5(11)3-4-8-6(10)7(12)13/h3-4H,1-2H3,(H,12,13).
What are the key properties of 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid?
1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-6-oxopyrimidine-2-carboxylic acid is sourced from PubChem (CID 69180051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).