2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one

C19H18FN3O2S2 — CID 42900311

IUPAC2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCC(Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N1CCOCC1
InChIInChI=1S/C19H18FN3O2S2/c1-12(19(24)23-6-8-25-9-7-23)26-18-17-15(21-11-22-18)10-16(27-17)13-2-4-14(20)5-3-13/h2-5,10-12H,6-9H2,1H3
InChIKeyGEROLCDXYOANEP-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.84
Rot. Bonds4

About 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one

2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 42900311) has the molecular formula C19H18FN3O2S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID42900311
Molecular FormulaC19H18FN3O2S2
Molecular Weight403.50 g/mol
Exact Mass403.08
IUPAC Name2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCC(Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N1CCOCC1
InChIInChI=1S/C19H18FN3O2S2/c1-12(19(24)23-6-8-25-9-7-23)26-18-17-15(21-11-22-18)10-16(27-17)13-2-4-14(20)5-3-13/h2-5,10-12H,6-9H2,1H3
InChIKeyGEROLCDXYOANEP-UHFFFAOYSA-N
XLogP3.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one (CID 42900311) is 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one is CC(Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N1CCOCC1.
What is the InChIKey of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is GEROLCDXYOANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S2/c1-12(19(24)23-6-8-25-9-7-23)26-18-17-15(21-11-22-18)10-16(27-17)13-2-4-14(20)5-3-13/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one?
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 403.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42900311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).