3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol

C17H21FN4O2S — CID 91783689

IUPAC3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol
SMILESOC1CC(C(Nc2ncc(F)c(N3CCOCC3)n2)c2cccs2)C1
InChIInChI=1S/C17H21FN4O2S/c18-13-10-19-17(21-16(13)22-3-5-24-6-4-22)20-15(11-8-12(23)9-11)14-2-1-7-25-14/h1-2,7,10-12,15,23H,3-6,8-9H2,(H,19,20,21)
InChIKeyULIPVFMYWUEAFY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.44
Rot. Bonds5

About 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol

3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol (PubChem CID 91783689) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol
PubChem CID91783689
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol
SMILESOC1CC(C(Nc2ncc(F)c(N3CCOCC3)n2)c2cccs2)C1
InChIInChI=1S/C17H21FN4O2S/c18-13-10-19-17(21-16(13)22-3-5-24-6-4-22)20-15(11-8-12(23)9-11)14-2-1-7-25-14/h1-2,7,10-12,15,23H,3-6,8-9H2,(H,19,20,21)
InChIKeyULIPVFMYWUEAFY-UHFFFAOYSA-N
XLogP2.44
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol (CID 91783689) is 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol is OC1CC(C(Nc2ncc(F)c(N3CCOCC3)n2)c2cccs2)C1.
What is the InChIKey of 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol?
The InChIKey is ULIPVFMYWUEAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c18-13-10-19-17(21-16(13)22-3-5-24-6-4-22)20-15(11-8-12(23)9-11)14-2-1-7-25-14/h1-2,7,10-12,15,23H,3-6,8-9H2,(H,19,20,21).
What are the key properties of 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol?
3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol has a molecular weight of 364.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-thiophen-2-ylmethyl]cyclobutan-1-ol is sourced from PubChem (CID 91783689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).