2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid

C19H16N2O2S — CID 3059947

IUPAC2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
SMILESCc1cc(-c2ccccc2)nc(SC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C19H16N2O2S/c1-13-12-16(14-8-4-2-5-9-14)21-19(20-13)24-17(18(22)23)15-10-6-3-7-11-15/h2-12,17H,1H3,(H,22,23)
InChIKeyUFEIWPLHGOHKFM-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.37
Rot. Bonds5

About 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid (PubChem CID 3059947) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
PubChem CID3059947
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
SMILESCc1cc(-c2ccccc2)nc(SC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C19H16N2O2S/c1-13-12-16(14-8-4-2-5-9-14)21-19(20-13)24-17(18(22)23)15-10-6-3-7-11-15/h2-12,17H,1H3,(H,22,23)
InChIKeyUFEIWPLHGOHKFM-UHFFFAOYSA-N
XLogP4.37
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid
CID 3070920
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 5177649
(2R)-2-[2-[(S)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427660
2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 5066196
(2R)-2-[2-[(R)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427658
(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(2R)-2-phenylpropyl]propanamide
CID 8731155
2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
CID 132587435
2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 143568576
2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid
CID 143568493
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid?
The IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid (CID 3059947) is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid is Cc1cc(-c2ccccc2)nc(SC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid?
The InChIKey is UFEIWPLHGOHKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13-12-16(14-8-4-2-5-9-14)21-19(20-13)24-17(18(22)23)15-10-6-3-7-11-15/h2-12,17H,1H3,(H,22,23).
What are the key properties of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid?
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid has a molecular weight of 336.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 3059947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).