5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C13H9ClN2OS — CID 121360083

IUPAC5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc[nH]c(=O)c2c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c1-7-10(8-3-2-4-9(14)5-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17)
InChIKeyFWCYLEVSJMYMMT-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.61
Rot. Bonds1

About 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 121360083) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID121360083
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc[nH]c(=O)c2c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c1-7-10(8-3-2-4-9(14)5-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17)
InChIKeyFWCYLEVSJMYMMT-UHFFFAOYSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 1186407
5-(3-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260709
6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39732424
7-(3-chlorophenyl)-3H-pteridin-4-one
CID 135737554
2-[(2,4-dichlorophenyl)methyl]-5-(3-methoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868656
4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine
CID 83971521
5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47290736
8-thia-4,6-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene-3,10-dione
CID 125490792
5-(3,4-dichlorophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889177
N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 50847101
2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065001
3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 135459391

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 121360083) is 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc[nH]c(=O)c2c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FWCYLEVSJMYMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-7-10(8-3-2-4-9(14)5-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17).
What are the key properties of 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 276.75 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 121360083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).