5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C14H12N2OS — CID 709311

IUPAC5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc[nH]c(=O)c23)cc1C
InChIInChI=1S/C14H12N2OS/c1-8-3-4-10(5-9(8)2)11-6-18-14-12(11)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyKWHJNRHCPPKDQM-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.27
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 709311) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID709311
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc[nH]c(=O)c23)cc1C
InChIInChI=1S/C14H12N2OS/c1-8-3-4-10(5-9(8)2)11-6-18-14-12(11)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyKWHJNRHCPPKDQM-UHFFFAOYSA-N
XLogP3.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-Tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
CID 98614
5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 665387
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
5-(4-bromophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727637
N-[4-(Aminomethyl)benzyl]-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidine-5-Carboxamide
CID 71677804
9-Allylsulfanyl-8-ethyl-5,8-dihydro-6H-11-thia-8,10-diaza-benzo[a]fluoren-7-one
CID 3138592
5-(2,4-Dimethyl-benzyl)-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
CID 802672
5,6,7,8-Tetrahydro-7-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 2790041
(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-6-methyl-
CID 3148105

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 709311) is 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc[nH]c(=O)c23)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KWHJNRHCPPKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-8-3-4-10(5-9(8)2)11-6-18-14-12(11)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 256.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 709311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).