2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C15H11ClF3N3OS — CID 60518614

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Cc3ncc(C(F)(F)F)cc3Cl)[nH]c(=O)c2c1C
InChIInChI=1S/C15H11ClF3N3OS/c1-6-7(2)24-14-12(6)13(23)21-11(22-14)4-10-9(16)3-8(5-20-10)15(17,18)19/h3,5H,4H2,1-2H3,(H,21,22,23)
InChIKeyQSBYEXZWEXONCH-UHFFFAOYSA-N
MW373.79 g/mol
LogP4.26
Rot. Bonds2

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 60518614) has the molecular formula C15H11ClF3N3OS and a molecular weight of 373.79 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID60518614
Molecular FormulaC15H11ClF3N3OS
Molecular Weight373.79 g/mol
Exact Mass373.03
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Cc3ncc(C(F)(F)F)cc3Cl)[nH]c(=O)c2c1C
InChIInChI=1S/C15H11ClF3N3OS/c1-6-7(2)24-14-12(6)13(23)21-11(22-14)4-10-9(16)3-8(5-20-10)15(17,18)19/h3,5H,4H2,1-2H3,(H,21,22,23)
InChIKeyQSBYEXZWEXONCH-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518556
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518768
2-[(4-chlorophenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890246
5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60527927
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019420
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
2-[(6-fluoro-3-pyridinyl)oxymethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 115371692
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2419221
2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7250320
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 106176518
2-[(2-bromophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 43235249
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 2104170

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 60518614) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(Cc3ncc(C(F)(F)F)cc3Cl)[nH]c(=O)c2c1C.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QSBYEXZWEXONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3OS/c1-6-7(2)24-14-12(6)13(23)21-11(22-14)4-10-9(16)3-8(5-20-10)15(17,18)19/h3,5H,4H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 373.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 60518614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).