6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid

C11H12N4O2 — CID 116862425

IUPAC6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(-c2cc[nH]c2)n1
InChIInChI=1S/C11H12N4O2/c1-15(2)9-5-8(11(16)17)13-10(14-9)7-3-4-12-6-7/h3-6,12H,1-2H3,(H,16,17)
InChIKeyNFRYWPZWRLIOGK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.24
Rot. Bonds3

About 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid

6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 116862425) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid
PubChem CID116862425
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(-c2cc[nH]c2)n1
InChIInChI=1S/C11H12N4O2/c1-15(2)9-5-8(11(16)17)13-10(14-9)7-3-4-12-6-7/h3-6,12H,1-2H3,(H,16,17)
InChIKeyNFRYWPZWRLIOGK-UHFFFAOYSA-N
XLogP1.24
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
2-(4-tert-butylphenyl)-6-(dimethylamino)pyrimidine-4-carboxylic acid
CID 82170137
6-(dimethylamino)-2-(3-nitrophenyl)pyrimidine-4-carboxylic acid
CID 82170155
6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83852290
6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82170190
6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82170163
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
3-[methyl(1H-pyrrol-3-yl)amino]benzoic acid
CID 117043065
2,4-dimethyl-6-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid
CID 82285097
2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid
CID 82282573
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 83851913

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid (CID 116862425) is 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid is CN(C)c1cc(C(=O)O)nc(-c2cc[nH]c2)n1.
What is the InChIKey of 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is NFRYWPZWRLIOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15(2)9-5-8(11(16)17)13-10(14-9)7-3-4-12-6-7/h3-6,12H,1-2H3,(H,16,17).
What are the key properties of 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid?
6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-(1H-pyrrol-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 116862425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).