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

C19H16N4OS — CID 143616204

IUPAC3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol
SMILESCc1c(-c2ccnc(N)n2)sc2cnc(Cc3cccc(O)c3)cc12
InChIInChI=1S/C19H16N4OS/c1-11-15-9-13(7-12-3-2-4-14(24)8-12)22-10-17(15)25-18(11)16-5-6-21-19(20)23-16/h2-6,8-10,24H,7H2,1H3,(H2,20,21,23)
InChIKeyZRSFIYCCKOFSGN-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.94
Rot. Bonds3

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

3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol (PubChem CID 143616204) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol
PubChem CID143616204
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol
SMILESCc1c(-c2ccnc(N)n2)sc2cnc(Cc3cccc(O)c3)cc12
InChIInChI=1S/C19H16N4OS/c1-11-15-9-13(7-12-3-2-4-14(24)8-12)22-10-17(15)25-18(11)16-5-6-21-19(20)23-16/h2-6,8-10,24H,7H2,1H3,(H2,20,21,23)
InChIKeyZRSFIYCCKOFSGN-UHFFFAOYSA-N
XLogP3.94
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol 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 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol?
The IUPAC name of 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol (CID 143616204) is 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol?
The canonical SMILES for 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol is Cc1c(-c2ccnc(N)n2)sc2cnc(Cc3cccc(O)c3)cc12.
What is the InChIKey of 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol?
The InChIKey is ZRSFIYCCKOFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-11-15-9-13(7-12-3-2-4-14(24)8-12)22-10-17(15)25-18(11)16-5-6-21-19(20)23-16/h2-6,8-10,24H,7H2,1H3,(H2,20,21,23).
What are the key properties of 3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol?
3-[[2-(2-aminopyrimidin-4-yl)-3-methylthieno[2,3-c]pyridin-5-yl]methyl]phenol has a molecular weight of 348.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]methyl]phenol is sourced from PubChem (CID 143616204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).