2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid

C11H10N4O3 — CID 102921653

IUPAC2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2cncnc2)c1C(=O)O
InChIInChI=1S/C11H10N4O3/c1-6-9(11(17)18)8(4-14-6)15-10(16)7-2-12-5-13-3-7/h2-5,14H,1H3,(H,15,16)(H,17,18)
InChIKeyJHERPTUCHYDPAI-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid

2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid (PubChem CID 102921653) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
PubChem CID102921653
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2cncnc2)c1C(=O)O
InChIInChI=1S/C11H10N4O3/c1-6-9(11(17)18)8(4-14-6)15-10(16)7-2-12-5-13-3-7/h2-5,14H,1H3,(H,15,16)(H,17,18)
InChIKeyJHERPTUCHYDPAI-UHFFFAOYSA-N
XLogP1.06
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880507
4-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881402
2-methyl-4-[(3,4,5-trifluorobenzoyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82876120
2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921528
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881484
4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880578
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881165
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
2-methyl-4-[(5-nitrothiophene-3-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881145
2-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82880586
4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82875992
4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107517244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid (CID 102921653) is 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)c2cncnc2)c1C(=O)O.
What is the InChIKey of 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid?
The InChIKey is JHERPTUCHYDPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-9(11(17)18)8(4-14-6)15-10(16)7-2-12-5-13-3-7/h2-5,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid?
2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 102921653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).