2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol

C19H19FN2O — CID 141201241

IUPAC2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol
SMILESCC1=CN(c2ccc(O)c(F)c2)CN=C1Cc1ccccc1C
InChIInChI=1S/C19H19FN2O/c1-13-5-3-4-6-15(13)9-18-14(2)11-22(12-21-18)16-7-8-19(23)17(20)10-16/h3-8,10-11,23H,9,12H2,1-2H3
InChIKeyZKGWYEFYBMLDQB-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.20
Rot. Bonds3

About 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol

2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol (PubChem CID 141201241) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol
PubChem CID141201241
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol
SMILESCC1=CN(c2ccc(O)c(F)c2)CN=C1Cc1ccccc1C
InChIInChI=1S/C19H19FN2O/c1-13-5-3-4-6-15(13)9-18-14(2)11-22(12-21-18)16-7-8-19(23)17(20)10-16/h3-8,10-11,23H,9,12H2,1-2H3
InChIKeyZKGWYEFYBMLDQB-UHFFFAOYSA-N
XLogP4.20
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol?
The IUPAC name of 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol (CID 141201241) is 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol is CC1=CN(c2ccc(O)c(F)c2)CN=C1Cc1ccccc1C.
What is the InChIKey of 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol?
The InChIKey is ZKGWYEFYBMLDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-5-3-4-6-15(13)9-18-14(2)11-22(12-21-18)16-7-8-19(23)17(20)10-16/h3-8,10-11,23H,9,12H2,1-2H3.
What are the key properties of 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol?
2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol has a molecular weight of 310.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-methyl-4-[(2-methylphenyl)methyl]-2H-pyrimidin-1-yl]phenol is sourced from PubChem (CID 141201241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).