3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol

C23H23N5O2S — CID 143616218

IUPAC3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol
SMILESCc1c(-c2ccnc(N)n2)sc2cnc(C(c3cccc(O)c3)N3CCOCC3)cc12
InChIInChI=1S/C23H23N5O2S/c1-14-17-12-19(26-13-20(17)31-22(14)18-5-6-25-23(24)27-18)21(28-7-9-30-10-8-28)15-3-2-4-16(29)11-15/h2-6,11-13,21,29H,7-10H2,1H3,(H2,24,25,27)
InChIKeyVKAZZDAQDZVKAZ-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.77
Rot. Bonds4

About 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol

3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol (PubChem CID 143616218) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol.

Molecular Properties

Compound Name3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol
PubChem CID143616218
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol
SMILESCc1c(-c2ccnc(N)n2)sc2cnc(C(c3cccc(O)c3)N3CCOCC3)cc12
InChIInChI=1S/C23H23N5O2S/c1-14-17-12-19(26-13-20(17)31-22(14)18-5-6-25-23(24)27-18)21(28-7-9-30-10-8-28)15-3-2-4-16(29)11-15/h2-6,11-13,21,29H,7-10H2,1H3,(H2,24,25,27)
InChIKeyVKAZZDAQDZVKAZ-UHFFFAOYSA-N
XLogP3.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol?
The IUPAC name of 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol (CID 143616218) is 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol.
What is the SMILES notation for 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol?
The canonical SMILES for 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol is Cc1c(-c2ccnc(N)n2)sc2cnc(C(c3cccc(O)c3)N3CCOCC3)cc12.
What is the InChIKey of 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol?
The InChIKey is VKAZZDAQDZVKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-17-12-19(26-13-20(17)31-22(14)18-5-6-25-23(24)27-18)21(28-7-9-30-10-8-28)15-3-2-4-16(29)11-15/h2-6,11-13,21,29H,7-10H2,1H3,(H2,24,25,27).
What are the key properties of 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol?
3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol has a molecular weight of 433.54 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]-morpholin-4-ylmethyl]phenol is sourced from PubChem (CID 143616218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).