6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid

C13H13N3O4 — CID 95477838

IUPAC6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2nc(N)cc(C(=O)O)n2)c(OC)c1
InChIInChI=1S/C13H13N3O4/c1-19-7-3-4-8(10(5-7)20-2)12-15-9(13(17)18)6-11(14)16-12/h3-6H,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyKUIPQDHSSFLVCJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.44
Rot. Bonds4

About 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid

6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 95477838) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID95477838
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2nc(N)cc(C(=O)O)n2)c(OC)c1
InChIInChI=1S/C13H13N3O4/c1-19-7-3-4-8(10(5-7)20-2)12-15-9(13(17)18)6-11(14)16-12/h3-6H,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyKUIPQDHSSFLVCJ-UHFFFAOYSA-N
XLogP1.44
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxypyrimidin-5-amine
CID 22324338
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
CID 82169115
[2-(2,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250716
2-(2,4-dimethoxyphenyl)-5-hydroxyimidazo[4,5-c]pyridine
CID 13175388
6-(2,4-dimethoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952332
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid (CID 95477838) is 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid is COc1ccc(-c2nc(N)cc(C(=O)O)n2)c(OC)c1.
What is the InChIKey of 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is KUIPQDHSSFLVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-19-7-3-4-8(10(5-7)20-2)12-15-9(13(17)18)6-11(14)16-12/h3-6H,1-2H3,(H,17,18)(H2,14,15,16).
What are the key properties of 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid?
6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,4-dimethoxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 95477838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).