4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid

C7H9N3O3 — CID 83851913

IUPAC4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O3/c1-10(2)5-3-4(6(11)12)8-7(13)9-5/h3H,1-2H3,(H,11,12)(H,8,9,13)
InChIKeyTYRMNZUELQROLV-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.47
Rot. Bonds2

About 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid

4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 83851913) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid
PubChem CID83851913
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O3/c1-10(2)5-3-4(6(11)12)8-7(13)9-5/h3H,1-2H3,(H,11,12)(H,8,9,13)
InChIKeyTYRMNZUELQROLV-UHFFFAOYSA-N
XLogP-0.47
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid (CID 83851913) is 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid is CN(C)c1cc(C(=O)O)[nH]c(=O)n1.
What is the InChIKey of 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is TYRMNZUELQROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10(2)5-3-4(6(11)12)8-7(13)9-5/h3H,1-2H3,(H,11,12)(H,8,9,13).
What are the key properties of 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid?
4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 83851913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).