5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

C17H11FN4O2S — CID 167920942

IUPAC5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccc(=O)[nH]n3)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN4O2S/c1-8-13(9-2-4-10(18)5-3-9)14-16(24)19-15(20-17(14)25-8)11-6-7-12(23)22-21-11/h2-7H,1H3,(H,22,23)(H,19,20,24)
InChIKeyFFIYYWQORHTBJJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.85
Rot. Bonds2

About 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 167920942) has the molecular formula C17H11FN4O2S and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID167920942
Molecular FormulaC17H11FN4O2S
Molecular Weight354.37 g/mol
Exact Mass354.06
IUPAC Name5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccc(=O)[nH]n3)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN4O2S/c1-8-13(9-2-4-10(18)5-3-9)14-16(24)19-15(20-17(14)25-8)11-6-7-12(23)22-21-11/h2-7H,1H3,(H,22,23)(H,19,20,24)
InChIKeyFFIYYWQORHTBJJ-UHFFFAOYSA-N
XLogP2.85
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7-tetrahydro-3-amino-2-(phenylmethyl)-
CID 915997
5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 209396
2,6-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 705286
3-Amino-2-ethyl-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-4-one
CID 723149
3-Amino-2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2306296
2-Methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 730299
Thieno(2,3-d)pyrimidin-4(1H)-one, 2,5-diphenyl-
CID 205779
3-amino-2-methyl-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 692012
3-Amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 829334
2-(6-Methyl-4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)acetamide
CID 852959
2-benzyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 902249

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 167920942) is 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3ccc(=O)[nH]n3)[nH]c(=O)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FFIYYWQORHTBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2S/c1-8-13(9-2-4-10(18)5-3-9)14-16(24)19-15(20-17(14)25-8)11-6-7-12(23)22-21-11/h2-7H,1H3,(H,22,23)(H,19,20,24).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 354.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167920942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).