2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

C15H12N2O2S2 — CID 91965567

IUPAC2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1cc2c(SCC(=O)O)nc(-c3ccccc3)nc2s1
InChIInChI=1S/C15H12N2O2S2/c1-9-7-11-14(20-8-12(18)19)16-13(17-15(11)21-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPRNVRFNQZDWAAI-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.84
Rot. Bonds4

About 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 91965567) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID91965567
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1cc2c(SCC(=O)O)nc(-c3ccccc3)nc2s1
InChIInChI=1S/C15H12N2O2S2/c1-9-7-11-14(20-8-12(18)19)16-13(17-15(11)21-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPRNVRFNQZDWAAI-UHFFFAOYSA-N
XLogP3.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
Ttp 22
CID 1536915
hGGPPS-IN-1
CID 71583205
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 704026
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
2-((5-(4-Methylphenyl)thieno(2,3-d)pyrimidin-4-yl)thio)acetic acid
CID 744736
2-((5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetic acid
CID 746456
3-(6-Phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoic acid
CID 1277376
2-[Benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 2453882

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (CID 91965567) is 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is Cc1cc2c(SCC(=O)O)nc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is PRNVRFNQZDWAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-9-7-11-14(20-8-12(18)19)16-13(17-15(11)21-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 316.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 91965567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).