5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C21H19FN6O2S — CID 25108885

IUPAC5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(F)c(-c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C21H19FN6O2S/c1-29-13-2-3-15(22)14(8-13)17-9-16-18(31-17)20(28-4-6-30-7-5-28)27-19(26-16)12-10-24-21(23)25-11-12/h2-3,8-11H,4-7H2,1H3,(H2,23,24,25)
InChIKeyKJMRPEGAXMRMGZ-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.38
Rot. Bonds4

About 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 25108885) has the molecular formula C21H19FN6O2S and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID25108885
Molecular FormulaC21H19FN6O2S
Molecular Weight438.49 g/mol
Exact Mass438.13
IUPAC Name5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(F)c(-c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C21H19FN6O2S/c1-29-13-2-3-15(22)14(8-13)17-9-16-18(31-17)20(28-4-6-30-7-5-28)27-19(26-16)12-10-24-21(23)25-11-12/h2-3,8-11H,4-7H2,1H3,(H2,23,24,25)
InChIKeyKJMRPEGAXMRMGZ-UHFFFAOYSA-N
XLogP3.38
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 25108885) is 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is COc1ccc(F)c(-c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)c1.
What is the InChIKey of 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is KJMRPEGAXMRMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2S/c1-29-13-2-3-15(22)14(8-13)17-9-16-18(31-17)20(28-4-6-30-7-5-28)27-19(26-16)12-10-24-21(23)25-11-12/h2-3,8-11H,4-7H2,1H3,(H2,23,24,25).
What are the key properties of 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 438.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 25108885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).