3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid

C15H16N2O2 — CID 104572948

IUPAC3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
SMILESCc1cnc(C(Cc2ccccc2C)C(=O)O)nc1
InChIInChI=1S/C15H16N2O2/c1-10-8-16-14(17-9-10)13(15(18)19)7-12-6-4-3-5-11(12)2/h3-6,8-9,13H,7H2,1-2H3,(H,18,19)
InChIKeyDQQIMJWXTIMROV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.50
Rot. Bonds4

About 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid

3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid (PubChem CID 104572948) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
PubChem CID104572948
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
SMILESCc1cnc(C(Cc2ccccc2C)C(=O)O)nc1
InChIInChI=1S/C15H16N2O2/c1-10-8-16-14(17-9-10)13(15(18)19)7-12-6-4-3-5-11(12)2/h3-6,8-9,13H,7H2,1-2H3,(H,18,19)
InChIKeyDQQIMJWXTIMROV-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572904
3-(3-chlorophenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104573378
2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 106879271
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
CID 104572929
2-(1,3-benzothiazol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 104572950
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(2-methylphenyl)propanoic acid
CID 104572946
2-(5-bromopyrimidin-2-yl)-3-(4-methylphenyl)propanoic acid
CID 104573110
2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid (CID 104572948) is 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid is Cc1cnc(C(Cc2ccccc2C)C(=O)O)nc1.
What is the InChIKey of 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid?
The InChIKey is DQQIMJWXTIMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-8-16-14(17-9-10)13(15(18)19)7-12-6-4-3-5-11(12)2/h3-6,8-9,13H,7H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid?
3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 104572948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).