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

C12H8F2N2OS — CID 71175548

IUPAC2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cc(F)ccc2F)nc2c1CCS2
InChIInChI=1S/C12H8F2N2OS/c13-6-1-2-9(14)8(5-6)10-15-11(17)7-3-4-18-12(7)16-10/h1-2,5H,3-4H2,(H,15,16,17)
InChIKeyDVZRGRXELLGZLD-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.36
Rot. Bonds1

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

2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71175548) has the molecular formula C12H8F2N2OS and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71175548
Molecular FormulaC12H8F2N2OS
Molecular Weight266.27 g/mol
Exact Mass266.03
IUPAC Name2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cc(F)ccc2F)nc2c1CCS2
InChIInChI=1S/C12H8F2N2OS/c13-6-1-2-9(14)8(5-6)10-15-11(17)7-3-4-18-12(7)16-10/h1-2,5H,3-4H2,(H,15,16,17)
InChIKeyDVZRGRXELLGZLD-UHFFFAOYSA-N
XLogP2.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Xav-939
CID 135418940
6-(Benzylsulfanyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-ol
CID 661959
2-(4-(Trifluoromethyl)phenyl)-4A,5,7,7A-tetrahydrothieno[3,4-D]pyrimidin-4(3H)-one
CID 71819164
2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-3H-thiopyrano[3,2-D]pyrimidin-4(6H)-one
CID 135741892
2-[4-(Trifluoromethyl)phenyl]-3,5,6,8-tetrahydrothiopyrano[3,4-d]pyrimidin-4-one
CID 136244504
2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-3H-thiopyrano[4,3-d]pyrimidine-4,5-dione
CID 137637696
4-(Methylthio)-6-oxo-2-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 725109
4-(ethylsulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135545012
6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol
CID 3591920
2-(4-fluorophenyl)-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139229667
2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137179303
4-tert-butylsulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 134921068

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one (CID 71175548) is 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cc(F)ccc2F)nc2c1CCS2.
What is the InChIKey of 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DVZRGRXELLGZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2OS/c13-6-1-2-9(14)8(5-6)10-15-11(17)7-3-4-18-12(7)16-10/h1-2,5H,3-4H2,(H,15,16,17).
What are the key properties of 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 266.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-5,6-dihydro-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71175548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).