2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol

C20H14N2O2S — CID 135604721

IUPAC2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol
SMILESOc1ccc(-c2nc(-c3ccccc3)cc(-c3sccc3O)n2)cc1
InChIInChI=1S/C20H14N2O2S/c23-15-8-6-14(7-9-15)20-21-16(13-4-2-1-3-5-13)12-17(22-20)19-18(24)10-11-25-19/h1-12,23-24H
InChIKeyWXECATNLJJMLHM-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.95
Rot. Bonds3

About 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol

2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol (PubChem CID 135604721) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol
PubChem CID135604721
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol
SMILESOc1ccc(-c2nc(-c3ccccc3)cc(-c3sccc3O)n2)cc1
InChIInChI=1S/C20H14N2O2S/c23-15-8-6-14(7-9-15)20-21-16(13-4-2-1-3-5-13)12-17(22-20)19-18(24)10-11-25-19/h1-12,23-24H
InChIKeyWXECATNLJJMLHM-UHFFFAOYSA-N
XLogP4.95
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
CID 130210848
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol (CID 135604721) is 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol is Oc1ccc(-c2nc(-c3ccccc3)cc(-c3sccc3O)n2)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol?
The InChIKey is WXECATNLJJMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-15-8-6-14(7-9-15)20-21-16(13-4-2-1-3-5-13)12-17(22-20)19-18(24)10-11-25-19/h1-12,23-24H.
What are the key properties of 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol?
2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol has a molecular weight of 346.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)-6-phenylpyrimidin-4-yl]thiophen-3-ol is sourced from PubChem (CID 135604721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).