4-(4-thiophen-2-ylpyrimidin-2-yl)phenol

C14H10N2OS — CID 1479926

IUPAC4-(4-thiophen-2-ylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C14H10N2OS/c17-11-5-3-10(4-6-11)14-15-8-7-12(16-14)13-2-1-9-18-13/h1-9,17H
InChIKeyDXGRYMLAIPDOCN-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.58
Rot. Bonds2

About 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol

4-(4-thiophen-2-ylpyrimidin-2-yl)phenol (PubChem CID 1479926) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(4-thiophen-2-ylpyrimidin-2-yl)phenol
PubChem CID1479926
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name4-(4-thiophen-2-ylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C14H10N2OS/c17-11-5-3-10(4-6-11)14-15-8-7-12(16-14)13-2-1-9-18-13/h1-9,17H
InChIKeyDXGRYMLAIPDOCN-UHFFFAOYSA-N
XLogP3.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(Pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972705
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenol
CID 972804
4-[2-(Pyridin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972900
2-(2-Pyrimidyl)-4-(2-hydroxyphenyl)thiazole
CID 86277538
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
4-[(5-Thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
CID 11347373
4-[2-(3-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenol
CID 973160
4-[4-(4-Methylphenyl)-2-pyrimidinyl]benzenol
CID 1479917
4-[4-(Pyridin-2-yl)pyrimidin-2-yl]phenol
CID 2767798
4-[3-(3-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenol
CID 126673302
4-Methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)phenol
CID 145967722
3-(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)phenol
CID 145967940

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol?
The IUPAC name of 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol (CID 1479926) is 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol is Oc1ccc(-c2nccc(-c3cccs3)n2)cc1.
What is the InChIKey of 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol?
The InChIKey is DXGRYMLAIPDOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-11-5-3-10(4-6-11)14-15-8-7-12(16-14)13-2-1-9-18-13/h1-9,17H.
What are the key properties of 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol?
4-(4-thiophen-2-ylpyrimidin-2-yl)phenol has a molecular weight of 254.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 1479926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).