3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride

C16H16ClN3O2S — CID 16757577

IUPAC3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride
SMILESCl.Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C16H15N3O2S.ClH/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19;/h1-4,9-10,20H,5-8H2;1H
InChIKeyQZNGTGMIDAWLPG-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.32
Rot. Bonds2

About 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride

3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride (PubChem CID 16757577) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride
PubChem CID16757577
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride
SMILESCl.Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C16H15N3O2S.ClH/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19;/h1-4,9-10,20H,5-8H2;1H
InChIKeyQZNGTGMIDAWLPG-UHFFFAOYSA-N
XLogP3.32
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride?
The IUPAC name of 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride (CID 16757577) is 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride?
The canonical SMILES for 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride is Cl.Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1.
What is the InChIKey of 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride?
The InChIKey is QZNGTGMIDAWLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S.ClH/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19;/h1-4,9-10,20H,5-8H2;1H.
What are the key properties of 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride?
3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride has a molecular weight of 349.84 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride is sourced from PubChem (CID 16757577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).