2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C10H7FN2OS2 — CID 136961118

IUPAC2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(F)s2)nc2c1CSC2
InChIInChI=1S/C10H7FN2OS2/c11-8-2-1-7(16-8)9-12-6-4-15-3-5(6)10(14)13-9/h1-2H,3-4H2,(H,12,13,14)
InChIKeyGFIQWIRQCJABOP-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.38
Rot. Bonds1

About 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 136961118) has the molecular formula C10H7FN2OS2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID136961118
Molecular FormulaC10H7FN2OS2
Molecular Weight254.31 g/mol
Exact Mass254.00
IUPAC Name2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(F)s2)nc2c1CSC2
InChIInChI=1S/C10H7FN2OS2/c11-8-2-1-7(16-8)9-12-6-4-15-3-5(6)10(14)13-9/h1-2H,3-4H2,(H,12,13,14)
InChIKeyGFIQWIRQCJABOP-UHFFFAOYSA-N
XLogP2.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 136961118) is 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(F)s2)nc2c1CSC2.
What is the InChIKey of 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is GFIQWIRQCJABOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS2/c11-8-2-1-7(16-8)9-12-6-4-15-3-5(6)10(14)13-9/h1-2H,3-4H2,(H,12,13,14).
What are the key properties of 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 254.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorothiophen-2-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136961118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).