[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol

C12H11FN2O — CID 62757349

IUPAC[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C12H11FN2O/c13-11-3-1-9(2-4-11)5-12-14-6-10(8-16)7-15-12/h1-4,6-7,16H,5,8H2
InChIKeyZKZNMKIWFUJLEB-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.70
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol

[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol (PubChem CID 62757349) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
PubChem CID62757349
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C12H11FN2O/c13-11-3-1-9(2-4-11)5-12-14-6-10(8-16)7-15-12/h1-4,6-7,16H,5,8H2
InChIKeyZKZNMKIWFUJLEB-UHFFFAOYSA-N
XLogP1.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62757363
[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62904211
3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 54362686
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
[2-[(2-methoxyphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757708
[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600715
4-fluoro-2-[(4-fluorophenyl)methyl]pyrimidine
CID 164652124
N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 167914321
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395859
2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine
CID 114207196
(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone
CID 59627441

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol (CID 62757349) is [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol is OCc1cnc(Cc2ccc(F)cc2)nc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
The InChIKey is ZKZNMKIWFUJLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-11-3-1-9(2-4-11)5-12-14-6-10(8-16)7-15-12/h1-4,6-7,16H,5,8H2.
What are the key properties of [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol?
[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol has a molecular weight of 218.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 62757349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).