5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C18H18FN3O2S — CID 17482482

IUPAC5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1CN(Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)CCO1
InChIInChI=1S/C18H18FN3O2S/c1-11-8-22(6-7-24-11)9-15-20-17(23)16-14(10-25-18(16)21-15)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,21,23)
InChIKeyYFNLDQILHIXPHR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.01
Rot. Bonds3

About 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 17482482) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID17482482
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC1CN(Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)CCO1
InChIInChI=1S/C18H18FN3O2S/c1-11-8-22(6-7-24-11)9-15-20-17(23)16-14(10-25-18(16)21-15)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,21,23)
InChIKeyYFNLDQILHIXPHR-UHFFFAOYSA-N
XLogP3.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 17482482) is 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is CC1CN(Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)CCO1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YFNLDQILHIXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-11-8-22(6-7-24-11)9-15-20-17(23)16-14(10-25-18(16)21-15)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,21,23).
What are the key properties of 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 359.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(2-methylmorpholin-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 17482482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).