4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol

C13H13FN2O — CID 14513885

IUPAC[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]methanol
SMILESCC1=C(C(=NC(=N1)C)C2=CC=C(C=C2)F)CO
InChIInChI=1S/C13H13FN2O/c1-8-12(7-17)13(16-9(2)15-8)10-3-5-11(14)6-4-10/h3-6,17H,7H2,1-2H3
InChIKeySCHORJUPKGSJKD-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.90
Rot. Bonds2

About 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol

4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol (PubChem CID 14513885) has the molecular formula C13H13FN2O and a molecular weight of 232.25 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol
PubChem CID14513885
Molecular FormulaC13H13FN2O
Molecular Weight232.25 g/mol
Exact Mass232.10
IUPAC Name[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]methanol
SMILESCC1=C(C(=NC(=N1)C)C2=CC=C(C=C2)F)CO
InChIInChI=1S/C13H13FN2O/c1-8-12(7-17)13(16-9(2)15-8)10-3-5-11(14)6-4-10/h3-6,17H,7H2,1-2H3
InChIKeySCHORJUPKGSJKD-UHFFFAOYSA-N
XLogP1.90
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity244

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)-propan-1-ol
CID 11288025
4-(3-Hydroxy-propyl)-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile
CID 11666681
N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide
CID 9819937
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2S)-2-hydroxy-2-phenyl-ethyl]guanidine
CID 6480066
5-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)pentan-1-ol
CID 44423944
2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol
CID 3013269
4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL
CID 72879432
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)ethanol
CID 74220714
1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol
CID 155554501
4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropyl-2-methylsulfonylpyrimidine
CID 29980414
US12410160, Example 370
CID 165396762
2-(4-((2-Cyclopentyl-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 90111750

Frequently Asked Questions

What is the IUPAC name of 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol?
The IUPAC name of 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol (CID 14513885) is [4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]methanol.
What is the SMILES notation for 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol?
The canonical SMILES for 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol is CC1=C(C(=NC(=N1)C)C2=CC=C(C=C2)F)CO.
What is the InChIKey of 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol?
The InChIKey is SCHORJUPKGSJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-12(7-17)13(16-9(2)15-8)10-3-5-11(14)6-4-10/h3-6,17H,7H2,1-2H3.
What are the key properties of 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol?
4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol has a molecular weight of 232.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-Fluorophenyl)-2,6-dimethyl-5-pyrimidinemethanol is sourced from PubChem (CID 14513885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).