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

C7H9N3O3 — CID 135398941

IUPAC2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-10(2)7-8-4(6(12)13)3-5(11)9-7/h3H,1-2H3,(H,12,13)(H,8,9,11)
InChIKeyAHZOXDYQHHZXHD-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.47
Rot. Bonds2

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

2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135398941) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135398941
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-10(2)7-8-4(6(12)13)3-5(11)9-7/h3H,1-2H3,(H,12,13)(H,8,9,11)
InChIKeyAHZOXDYQHHZXHD-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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Related Compounds

6-Hydroxypyrimidine-4-carboxylic acid
CID 135432441
2-Aminoorotic acid
CID 135473670
Metformin orotate
CID 124097
2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 176534008
Creatine orotate
CID 12135009
2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 135449770
6-Hydroxy-2-(2,2,2-trifluoroacetamido)pyrimidine-4-carboxylic acid
CID 165939411
2-(Dimethylamino)-1,6-dihydro-5-methyl-6-oxo-4-pyrimidinecarboxylic acid
CID 136038625
6-Oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidine-4-carboxylic acid
CID 136261336
2-(Methylamino)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
CID 136316357
2-(Cyclopropylamino)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
CID 136316798
2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 139033068

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135398941) is 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid is CN(C)c1nc(C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is AHZOXDYQHHZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10(2)7-8-4(6(12)13)3-5(11)9-7/h3H,1-2H3,(H,12,13)(H,8,9,11).
What are the key properties of 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(dimethylamino)-6-oxo-1H-pyrimidine-4-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 2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135398941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).