4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid

C19H23N3O2 — CID 110120369

IUPAC4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid
SMILESCc1nc(-c2ccc(C(=O)O)cc2)cc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C19H23N3O2/c1-12(2)22-9-8-16(11-22)18-10-17(20-13(3)21-18)14-4-6-15(7-5-14)19(23)24/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,23,24)
InChIKeyLHTVACDOYNEKOX-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds4

About 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid

4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid (PubChem CID 110120369) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid
PubChem CID110120369
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid
SMILESCc1nc(-c2ccc(C(=O)O)cc2)cc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C19H23N3O2/c1-12(2)22-9-8-16(11-22)18-10-17(20-13(3)21-18)14-4-6-15(7-5-14)19(23)24/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,23,24)
InChIKeyLHTVACDOYNEKOX-UHFFFAOYSA-N
XLogP3.35
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic 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-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
6-(3-Fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 71282761
4-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl}benzoic acid
CID 23647108
4-(5-Heptylpyrimidin-2-yl)benzoic acid
CID 13765519
4-[(2-Hexylbenzimidazol-1-yl)methyl]benzoic acid
CID 15129921
(R)-4-(1-(5-cyano-6-methylpyridin-2-yl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)benzoic acid
CID 58064741
4-[4-((R)-1-phenyl-ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 59806249
3-Fluoro-4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978640
4-(5-Imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978744
4-(5-Imidazol-1-yl-2-pyridinyl)benzoic acid
CID 118978824
4-(Pyrimidin-2-yl)benzoic acid
CID 1514324
4-[6-[3-Amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]benzoic acid
CID 44440660

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid?
The IUPAC name of 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid (CID 110120369) is 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid?
The canonical SMILES for 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid is Cc1nc(-c2ccc(C(=O)O)cc2)cc(C2CCN(C(C)C)C2)n1.
What is the InChIKey of 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid?
The InChIKey is LHTVACDOYNEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)22-9-8-16(11-22)18-10-17(20-13(3)21-18)14-4-6-15(7-5-14)19(23)24/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,23,24).
What are the key properties of 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid?
4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]benzoic acid is sourced from PubChem (CID 110120369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).