1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid

C17H15N3O2 — CID 117274445

IUPAC1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)ncc1-c1ccc(C(=O)O)n1C
InChIInChI=1S/C17H15N3O2/c1-11-13(14-8-9-15(17(21)22)20(14)2)10-18-16(19-11)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,22)
InChIKeyXYEDNQDYGLZNNB-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.16
Rot. Bonds3

About 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid

1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid (PubChem CID 117274445) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
PubChem CID117274445
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)ncc1-c1ccc(C(=O)O)n1C
InChIInChI=1S/C17H15N3O2/c1-11-13(14-8-9-15(17(21)22)20(14)2)10-18-16(19-11)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,22)
InChIKeyXYEDNQDYGLZNNB-UHFFFAOYSA-N
XLogP3.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-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

4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine
CID 12537657
1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid
CID 43671705
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
3-(4-methyl-2-phenylpyrimidin-5-yl)-1-piperidin-1-ylprop-2-en-1-one
CID 68716684
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
1-methyl-3-[[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]methyl]pyrazole-4-carboxylic acid
CID 167852325
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
6,7,8-trimethyl-5-methylidene-2-phenylpyrido[2,3-d]pyrimidine
CID 169152835
1-methyl-7-phenylindole-2-carboxylic acid
CID 171663138

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid (CID 117274445) is 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid is Cc1nc(-c2ccccc2)ncc1-c1ccc(C(=O)O)n1C.
What is the InChIKey of 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid?
The InChIKey is XYEDNQDYGLZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-13(14-8-9-15(17(21)22)20(14)2)10-18-16(19-11)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,22).
What are the key properties of 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid?
1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyl-2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 117274445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).