2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid

C24H26N2O2 — CID 50997511

IUPAC2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc(CCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-3-10-20(24(27)28)22-17(2)25-21(16-15-18-11-6-4-7-12-18)26-23(22)19-13-8-5-9-14-19/h4-9,11-14,20H,3,10,15-16H2,1-2H3,(H,27,28)
InChIKeyCZSQTKLLJBSSBC-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.21
Rot. Bonds8

About 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid

2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid (PubChem CID 50997511) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid.

Molecular Properties

Compound Name2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid
PubChem CID50997511
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc(CCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-3-10-20(24(27)28)22-17(2)25-21(16-15-18-11-6-4-7-12-18)26-23(22)19-13-8-5-9-14-19/h4-9,11-14,20H,3,10,15-16H2,1-2H3,(H,27,28)
InChIKeyCZSQTKLLJBSSBC-UHFFFAOYSA-N
XLogP5.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)pentanoic acid
CID 123767989
2-[2-(benzylamino)-4-methyl-6-(4-methylphenyl)pyrimidin-5-yl]pentanoic acid
CID 66955986
2-[4-methyl-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]pentanoic acid
CID 66955893
2-[4-methyl-6-(4-methylphenyl)-2-phenylsulfanylpyrimidin-5-yl]pentanoic acid
CID 66955977
2-[4-(1H-indol-6-yl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoic acid
CID 66955372
2-(2,6-dimethyl-4-phenylthieno[2,3-b]pyridin-5-yl)pentanoic acid
CID 45115574
2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
methyl 2-[4-methyl-6-(4-methylphenyl)-2-phenylsulfanylpyrimidin-5-yl]pentanoate
CID 66955966
4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine
CID 55132630
2-[4-methyl-6-(4-methylphenyl)-2-(3-phenoxypiperidin-1-yl)pyrimidin-5-yl]pentanoic acid
CID 50995183
2-(2-phenylphenyl)pentanoic acid
CID 67565626
2-(2,3-diamino-6-phenylphenyl)pentanoic acid
CID 57185698

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid?
The IUPAC name of 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid (CID 50997511) is 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid.
What is the SMILES notation for 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid?
The canonical SMILES for 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid is CCCC(C(=O)O)c1c(C)nc(CCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid?
The InChIKey is CZSQTKLLJBSSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-10-20(24(27)28)22-17(2)25-21(16-15-18-11-6-4-7-12-18)26-23(22)19-13-8-5-9-14-19/h4-9,11-14,20H,3,10,15-16H2,1-2H3,(H,27,28).
What are the key properties of 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid?
2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid has a molecular weight of 374.48 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-phenyl-2-(2-phenylethyl)pyrimidin-5-yl]pentanoic acid is sourced from PubChem (CID 50997511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).