6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid

C13H13N3O2 — CID 82170133

IUPAC6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O2/c1-16(2)11-8-10(13(17)18)14-12(15-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyIJGVKNJNEDUZQI-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.91
Rot. Bonds3

About 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid

6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid (PubChem CID 82170133) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
PubChem CID82170133
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O2/c1-16(2)11-8-10(13(17)18)14-12(15-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyIJGVKNJNEDUZQI-UHFFFAOYSA-N
XLogP1.91
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-6-(dimethylamino)pyrimidine-4-carboxylic acid
CID 82170137
6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid
CID 116862425
6-(dimethylamino)-2-(3-nitrophenyl)pyrimidine-4-carboxylic acid
CID 82170155
6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851649
6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82170163
6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid
CID 67462209
N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112854326
6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83852290
2-phenylpyrimidine-4,6-dicarbonyl chloride
CID 71368048
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
1-(dimethylamino)isoquinoline-3-carboxylic acid
CID 43166521
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid (CID 82170133) is 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid is CN(C)c1cc(C(=O)O)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid?
The InChIKey is IJGVKNJNEDUZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(2)11-8-10(13(17)18)14-12(15-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid?
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).