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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
3-(2-(2-Aminopyrimidin-4-yl)-3-methylbenzo[b]thiophen-5-ylamino)phenol
CID 24877013
(+/-)-3-(Amino(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiophen-5-yl)methyl)phenol
CID 24877716
3-((2-(2-Aminopyrimidin-4-yl)-3-methylbenzo[b]thiophen-5-yl)methyl)phenol
CID 24878398
2-[2-Amino-5-(1-ethylpyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenol
CID 136000659
3-(4-Amino-[1]benzothiolo[3,2-d]pyrimidin-7-yl)phenol
CID 66550131
4-[(2S)-2-amino-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
CID 89596401
2-[(S)-2-amino-3-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamino)-propyl]-phenol
CID 89596475
3-[(2S)-2-amino-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
CID 89596605
2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol
CID 25118331
(2S)-1-N-[6-tert-butyl-7-(3-methoxyphenyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 117672735
4-(7-Thiophen-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol
CID 136475294

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).