2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol

C19H16N2O — CID 174393689

IUPAC2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol
SMILESCc1cc(-c2ccccc2O)nc(C=Cc2ccccc2)n1
InChIInChI=1S/C19H16N2O/c1-14-13-17(16-9-5-6-10-18(16)22)21-19(20-14)12-11-15-7-3-2-4-8-15/h2-13,22H,1H3
InChIKeyBDYXNBZBEXWHPI-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.33
Rot. Bonds3

About 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol

2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol (PubChem CID 174393689) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol
PubChem CID174393689
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol
SMILESCc1cc(-c2ccccc2O)nc(C=Cc2ccccc2)n1
InChIInChI=1S/C19H16N2O/c1-14-13-17(16-9-5-6-10-18(16)22)21-19(20-14)12-11-15-7-3-2-4-8-15/h2-13,22H,1H3
InChIKeyBDYXNBZBEXWHPI-UHFFFAOYSA-N
XLogP4.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol (CID 174393689) is 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol is Cc1cc(-c2ccccc2O)nc(C=Cc2ccccc2)n1.
What is the InChIKey of 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol?
The InChIKey is BDYXNBZBEXWHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-13-17(16-9-5-6-10-18(16)22)21-19(20-14)12-11-15-7-3-2-4-8-15/h2-13,22H,1H3.
What are the key properties of 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol?
2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol has a molecular weight of 288.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(2-phenylethenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 174393689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).