4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile

C15H13FN8OS — CID 123263940

IUPAC4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc3c(F)cnc(Nc4cc(N)ncn4)c3s2)CCO1
InChIInChI=1S/C15H13FN8OS/c16-9-5-19-14(22-11-3-10(18)20-7-21-11)13-12(9)23-15(26-13)24-1-2-25-8(4-17)6-24/h3,5,7-8H,1-2,6H2,(H3,18,19,20,21,22)
InChIKeyGLIJEIVPEGBPBR-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.67
Rot. Bonds3

About 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile

4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile (PubChem CID 123263940) has the molecular formula C15H13FN8OS and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile
PubChem CID123263940
Molecular FormulaC15H13FN8OS
Molecular Weight372.39 g/mol
Exact Mass372.09
IUPAC Name4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc3c(F)cnc(Nc4cc(N)ncn4)c3s2)CCO1
InChIInChI=1S/C15H13FN8OS/c16-9-5-19-14(22-11-3-10(18)20-7-21-11)13-12(9)23-15(26-13)24-1-2-25-8(4-17)6-24/h3,5,7-8H,1-2,6H2,(H3,18,19,20,21,22)
InChIKeyGLIJEIVPEGBPBR-UHFFFAOYSA-N
XLogP1.67
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile (CID 123263940) is 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile is N#CC1CN(c2nc3c(F)cnc(Nc4cc(N)ncn4)c3s2)CCO1.
What is the InChIKey of 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile?
The InChIKey is GLIJEIVPEGBPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN8OS/c16-9-5-19-14(22-11-3-10(18)20-7-21-11)13-12(9)23-15(26-13)24-1-2-25-8(4-17)6-24/h3,5,7-8H,1-2,6H2,(H3,18,19,20,21,22).
What are the key properties of 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile?
4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile has a molecular weight of 372.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 123263940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).