5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

C17H12N2OS2 — CID 52693465

IUPAC5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(-c2ccccc2)sc2nc(-c3ccsc3)[nH]c(=O)c12
InChIInChI=1S/C17H12N2OS2/c1-10-13-16(20)18-15(12-7-8-21-9-12)19-17(13)22-14(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,20)
InChIKeyYBXRCXYDDAKMDB-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.69
Rot. Bonds2

About 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 52693465) has the molecular formula C17H12N2OS2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID52693465
Molecular FormulaC17H12N2OS2
Molecular Weight324.43 g/mol
Exact Mass324.04
IUPAC Name5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(-c2ccccc2)sc2nc(-c3ccsc3)[nH]c(=O)c12
InChIInChI=1S/C17H12N2OS2/c1-10-13-16(20)18-15(12-7-8-21-9-12)19-17(13)22-14(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,20)
InChIKeyYBXRCXYDDAKMDB-UHFFFAOYSA-N
XLogP4.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55025830
6-isocyano-5-methyl-2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 58727424
2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167649
2-benzyl-6-(4-fluorophenyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 167495691
benzyl 5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28868209
2-(1H-indol-3-ylmethyl)-5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518739
5-methyl-6-phenyl-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 47075969
2-phenyl-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 139214488
5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47297455
ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate;5-methyl-2-methylsulfanyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 159064158
2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889421
2-(4-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 1116711

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 52693465) is 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1c(-c2ccccc2)sc2nc(-c3ccsc3)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YBXRCXYDDAKMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS2/c1-10-13-16(20)18-15(12-7-8-21-9-12)19-17(13)22-14(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,20).
What are the key properties of 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 324.43 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 52693465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).