(Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol

C20H18N2O — CID 135480613

IUPAC(Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol
SMILESO/C(=C\c1cc(CCc2ccccc2)ncn1)c1ccccc1
InChIInChI=1S/C20H18N2O/c23-20(17-9-5-2-6-10-17)14-19-13-18(21-15-22-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,23H,11-12H2/b20-14-
InChIKeyHWEYZJHFXZWZNT-ZHZULCJRSA-N
MW302.38 g/mol
LogP4.32
Rot. Bonds5

About (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol

(Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol (PubChem CID 135480613) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol.

Molecular Properties

Compound Name(Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol
PubChem CID135480613
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name(Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol
SMILESO/C(=C\c1cc(CCc2ccccc2)ncn1)c1ccccc1
InChIInChI=1S/C20H18N2O/c23-20(17-9-5-2-6-10-17)14-19-13-18(21-15-22-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,23H,11-12H2/b20-14-
InChIKeyHWEYZJHFXZWZNT-ZHZULCJRSA-N
XLogP4.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2-Amino-6-phenylpyrimidin-4-yl)phenol
CID 359838
4,6-Distyrylpyrimidine
CID 5331193
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[6-(4-Ethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918569
2-[[6-(4-Tert-butylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918619
1-Phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 70963358
(1R)-2-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 76310795
4-[4-(4-Methylphenyl)-2-pyrimidinyl]benzenol
CID 1479917
Bis-(4-fluoro-phenyl)-pyrimidin-5-yl-methanol
CID 13813639
Pyrimidin-5-yl-di-p-tolyl-methanol
CID 13813640
4-(2-Amino-4-phenylpyrimidin-5-yl)phenol
CID 134153079

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol?
The IUPAC name of (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol (CID 135480613) is (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol.
What is the SMILES notation for (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol?
The canonical SMILES for (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol is O/C(=C\c1cc(CCc2ccccc2)ncn1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol?
The InChIKey is HWEYZJHFXZWZNT-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20(17-9-5-2-6-10-17)14-19-13-18(21-15-22-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,23H,11-12H2/b20-14-.
What are the key properties of (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol?
(Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol has a molecular weight of 302.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol is sourced from PubChem (CID 135480613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).