3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol

C17H17N3O2S — CID 25023740

IUPAC3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESCc1csc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C17H17N3O2S/c1-11-10-23-15-14(11)18-16(12-3-2-4-13(21)9-12)19-17(15)20-5-7-22-8-6-20/h2-4,9-10,21H,5-8H2,1H3
InChIKeyGQNBJVKYFWNUJB-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.21
Rot. Bonds2

About 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol

3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 25023740) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
PubChem CID25023740
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESCc1csc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C17H17N3O2S/c1-11-10-23-15-14(11)18-16(12-3-2-4-13(21)9-12)19-17(15)20-5-7-22-8-6-20/h2-4,9-10,21H,5-8H2,1H3
InChIKeyGQNBJVKYFWNUJB-UHFFFAOYSA-N
XLogP3.21
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol (CID 25023740) is 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol is Cc1csc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc12.
What is the InChIKey of 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is GQNBJVKYFWNUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-10-23-15-14(11)18-16(12-3-2-4-13(21)9-12)19-17(15)20-5-7-22-8-6-20/h2-4,9-10,21H,5-8H2,1H3.
What are the key properties of 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 327.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 25023740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).