(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol

C19H17N3O — CID 135541353

IUPAC(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol
SMILESO/C(=C\c1cc(CCc2ccccc2)ncn1)c1cccnc1
InChIInChI=1S/C19H17N3O/c23-19(16-7-4-10-20-13-16)12-18-11-17(21-14-22-18)9-8-15-5-2-1-3-6-15/h1-7,10-14,23H,8-9H2/b19-12-
InChIKeyKOAFJDHNPRBRRO-UNOMPAQXSA-N
MW303.37 g/mol
LogP3.71
Rot. Bonds5

About (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol

(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol (PubChem CID 135541353) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol.

Molecular Properties

Compound Name(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol
PubChem CID135541353
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol
SMILESO/C(=C\c1cc(CCc2ccccc2)ncn1)c1cccnc1
InChIInChI=1S/C19H17N3O/c23-19(16-7-4-10-20-13-16)12-18-11-17(21-14-22-18)9-8-15-5-2-1-3-6-15/h1-7,10-14,23H,8-9H2/b19-12-
InChIKeyKOAFJDHNPRBRRO-UNOMPAQXSA-N
XLogP3.71
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol?
The IUPAC name of (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol (CID 135541353) is (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol.
What is the SMILES notation for (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol?
The canonical SMILES for (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol is O/C(=C\c1cc(CCc2ccccc2)ncn1)c1cccnc1.
What is the InChIKey of (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol?
The InChIKey is KOAFJDHNPRBRRO-UNOMPAQXSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(16-7-4-10-20-13-16)12-18-11-17(21-14-22-18)9-8-15-5-2-1-3-6-15/h1-7,10-14,23H,8-9H2/b19-12-.
What are the key properties of (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol?
(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol has a molecular weight of 303.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol is sourced from PubChem (CID 135541353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).