2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

C13H10N2OS2 — CID 8001799

IUPAC2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCSc1nc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C13H10N2OS2/c1-17-13-14-11-10(7-8-18-11)12(16)15(13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyDQQDQZYWYOJTBT-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.17
Rot. Bonds2

About 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 8001799) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID8001799
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCSc1nc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C13H10N2OS2/c1-17-13-14-11-10(7-8-18-11)12(16)15(13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyDQQDQZYWYOJTBT-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8902196
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8945326
2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 18434022
2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8898376
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 24654244
2-methylsulfanyl-3-(4-nitrophenyl)quinazolin-4-one
CID 146171433
6-methoxy-5-methyl-2-methylsulfanyl-3-phenylpyrimidin-4-one
CID 70242692
3-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 2375017
2-methylsulfanyl-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 917293
6-methyl-2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4068171
11,11-dimethyl-5-methylsulfanyl-4-phenyl-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 1386217

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 8001799) is 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is CSc1nc2sccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is DQQDQZYWYOJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-17-13-14-11-10(7-8-18-11)12(16)15(13)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 274.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 8001799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).