3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol

C17H12N4OS — CID 24855051

IUPAC3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESNc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C17H12N4OS/c18-14-9-10(4-6-19-14)15-16-13(5-7-23-16)20-17(21-15)11-2-1-3-12(22)8-11/h1-9,22H,(H2,18,19)
InChIKeyUKQJZKSEWHJSFE-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.71
Rot. Bonds2

About 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol

3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 24855051) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID24855051
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESNc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C17H12N4OS/c18-14-9-10(4-6-19-14)15-16-13(5-7-23-16)20-17(21-15)11-2-1-3-12(22)8-11/h1-9,22H,(H2,18,19)
InChIKeyUKQJZKSEWHJSFE-UHFFFAOYSA-N
XLogP3.71
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 9901372
3-(6-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidin-2-yl)phenol
CID 11539769
3-[6-[(4-Methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11669062
3-[6-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023739
3-[7-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023740
3-{6-[(Dimethylamino)methyl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl}phenol
CID 25023741
3-(6-{[(2-Methoxyethyl)(methyl)amino]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 25023742
(+/-)-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
3-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 46227614
4-[(5-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol hydrochloride
CID 2792371
3-(4-Morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride
CID 16757577

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol (CID 24855051) is 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol is Nc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1.
What is the InChIKey of 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is UKQJZKSEWHJSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-14-9-10(4-6-19-14)15-16-13(5-7-23-16)20-17(21-15)11-2-1-3-12(22)8-11/h1-9,22H,(H2,18,19).
What are the key properties of 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 320.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-4-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 24855051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).