4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine

C14H14FN5O2S2 — CID 22166986

IUPAC4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine
SMILESO=S(Cc1ncnc(N2CCOCC2)c1F)c1nc2cscc2[nH]1
InChIInChI=1S/C14H14FN5O2S2/c15-12-11(16-8-17-13(12)20-1-3-22-4-2-20)7-24(21)14-18-9-5-23-6-10(9)19-14/h5-6,8H,1-4,7H2,(H,18,19)
InChIKeyNZFWFPFEEKECQO-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.70
Rot. Bonds4

About 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine

4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine (PubChem CID 22166986) has the molecular formula C14H14FN5O2S2 and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine
PubChem CID22166986
Molecular FormulaC14H14FN5O2S2
Molecular Weight367.43 g/mol
Exact Mass367.06
IUPAC Name4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine
SMILESO=S(Cc1ncnc(N2CCOCC2)c1F)c1nc2cscc2[nH]1
InChIInChI=1S/C14H14FN5O2S2/c15-12-11(16-8-17-13(12)20-1-3-22-4-2-20)7-24(21)14-18-9-5-23-6-10(9)19-14/h5-6,8H,1-4,7H2,(H,18,19)
InChIKeyNZFWFPFEEKECQO-UHFFFAOYSA-N
XLogP1.70
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine (CID 22166986) is 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine is O=S(Cc1ncnc(N2CCOCC2)c1F)c1nc2cscc2[nH]1.
What is the InChIKey of 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine?
The InChIKey is NZFWFPFEEKECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2S2/c15-12-11(16-8-17-13(12)20-1-3-22-4-2-20)7-24(21)14-18-9-5-23-6-10(9)19-14/h5-6,8H,1-4,7H2,(H,18,19).
What are the key properties of 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine?
4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine has a molecular weight of 367.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 22166986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).