2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

C17H11FN4OS2 — CID 133425874

IUPAC2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(Sc2ncnc3ccc(F)cc23)nc2sccc2c1=O
InChIInChI=1S/C17H11FN4OS2/c1-2-6-22-16(23)11-5-7-24-15(11)21-17(22)25-14-12-8-10(18)3-4-13(12)19-9-20-14/h2-5,7-9H,1,6H2
InChIKeyLYJJWWLNSCXYCS-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.88
Rot. Bonds4

About 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (PubChem CID 133425874) has the molecular formula C17H11FN4OS2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
PubChem CID133425874
Molecular FormulaC17H11FN4OS2
Molecular Weight370.43 g/mol
Exact Mass370.04
IUPAC Name2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(Sc2ncnc3ccc(F)cc23)nc2sccc2c1=O
InChIInChI=1S/C17H11FN4OS2/c1-2-6-22-16(23)11-5-7-24-15(11)21-17(22)25-14-12-8-10(18)3-4-13(12)19-9-20-14/h2-5,7-9H,1,6H2
InChIKeyLYJJWWLNSCXYCS-UHFFFAOYSA-N
XLogP3.88
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluorophenoxy)ethylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 112784883
6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline
CID 133426842
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 25484945
3-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile
CID 17400646
2-(2-phenylethylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 112784888
4-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 24685624
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 130188489
N,N-diethyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 78764090
N-(2-methylpropyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 42794276
N-(2-methylpropyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 51234622
propan-2-yl 2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 102603041
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 133416269

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (CID 133425874) is 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is C=CCn1c(Sc2ncnc3ccc(F)cc23)nc2sccc2c1=O.
What is the InChIKey of 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is LYJJWWLNSCXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS2/c1-2-6-22-16(23)11-5-7-24-15(11)21-17(22)25-14-12-8-10(18)3-4-13(12)19-9-20-14/h2-5,7-9H,1,6H2.
What are the key properties of 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 370.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 133425874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).