(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C23H20N4O2S — CID 52676705

IUPAC(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1O)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H20N4O2S/c28-19-9-5-4-8-17(19)23(29)27-12-10-26(11-13-27)21-18-14-20(16-6-2-1-3-7-16)30-22(18)25-15-24-21/h1-9,14-15,28H,10-13H2
InChIKeyUBKPHKBZKQZXPS-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.03
Rot. Bonds3

About (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 52676705) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID52676705
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1O)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H20N4O2S/c28-19-9-5-4-8-17(19)23(29)27-12-10-26(11-13-27)21-18-14-20(16-6-2-1-3-7-16)30-22(18)25-15-24-21/h1-9,14-15,28H,10-13H2
InChIKeyUBKPHKBZKQZXPS-UHFFFAOYSA-N
XLogP4.03
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
3-methyl-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052335
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
(2-fluorophenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133408890
morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 3937786
(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072864
6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133280126
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 21062631
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
(2S,6S)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957174

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 52676705) is (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccccc1O)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is UBKPHKBZKQZXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-19-9-5-4-8-17(19)23(29)27-12-10-26(11-13-27)21-18-14-20(16-6-2-1-3-7-16)30-22(18)25-15-24-21/h1-9,14-15,28H,10-13H2.
What are the key properties of (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 416.51 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 52676705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).