2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C20H18N2OS2 — CID 2155150

IUPAC2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1
InChIInChI=1S/C20H18N2OS2/c1-14-7-9-15(10-8-14)13-25-20-21-17-11-12-24-18(17)19(23)22(20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyGEDNGQROQBQAKV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.48
Rot. Bonds4

About 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 2155150) has the molecular formula C20H18N2OS2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID2155150
Molecular FormulaC20H18N2OS2
Molecular Weight366.51 g/mol
Exact Mass366.09
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1
InChIInChI=1S/C20H18N2OS2/c1-14-7-9-15(10-8-14)13-25-20-21-17-11-12-24-18(17)19(23)22(20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyGEDNGQROQBQAKV-UHFFFAOYSA-N
XLogP4.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 2155150) is 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is Cc1ccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is GEDNGQROQBQAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS2/c1-14-7-9-15(10-8-14)13-25-20-21-17-11-12-24-18(17)19(23)22(20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 366.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 2155150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).