2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid

C12H10N2O2S — CID 4104803

IUPAC2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H10N2O2S/c15-11(16)8-17-12-13-6-10(7-14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyFMALJTPTAZDVPG-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.32
Rot. Bonds4

About 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid

2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid (PubChem CID 4104803) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid
PubChem CID4104803
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H10N2O2S/c15-11(16)8-17-12-13-6-10(7-14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyFMALJTPTAZDVPG-UHFFFAOYSA-N
XLogP2.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(carboxymethylsulfanyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]sulfanyl]acetic acid
CID 164613489
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 2771875
2-[(5-phenylpyrimidin-2-yl)disulfanyl]acetamide
CID 87796085
2-(5-phenylpyrimidin-2-yl)acetic acid
CID 83917086
2-[2-(carboxymethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylacetic acid
CID 2772554
2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
CID 116975092
2-[[5-(5-quinolin-3-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 118480029
ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 2963012
2-(1-butyl-5-phenylimidazol-2-yl)sulfanylacetic acid
CID 43327210
prop-2-enyl 2-(5-benzylpyrimidin-2-yl)sulfanylacetate
CID 11415355
2-[1-(3-methylbutyl)-5-phenylimidazol-2-yl]sulfanylacetic acid
CID 43327211
2-(9-naphthalen-1-ylpurin-2-yl)sulfanylacetic acid
CID 154631442

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid (CID 4104803) is 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid is O=C(O)CSc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is FMALJTPTAZDVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-11(16)8-17-12-13-6-10(7-14-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16).
What are the key properties of 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid?
2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 246.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 4104803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).