[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol

C15H14BrFN2O — CID 116896019

IUPAC[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
SMILESCc1cc(-c2cc(Br)ccc2F)nc(C2(CO)CC2)n1
InChIInChI=1S/C15H14BrFN2O/c1-9-6-13(11-7-10(16)2-3-12(11)17)19-14(18-9)15(8-20)4-5-15/h2-3,6-7,20H,4-5,8H2,1H3
InChIKeyJHADKTWUKGQVSF-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.38
Rot. Bonds3

About [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol

[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol (PubChem CID 116896019) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
PubChem CID116896019
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
SMILESCc1cc(-c2cc(Br)ccc2F)nc(C2(CO)CC2)n1
InChIInChI=1S/C15H14BrFN2O/c1-9-6-13(11-7-10(16)2-3-12(11)17)19-14(18-9)15(8-20)4-5-15/h2-3,6-7,20H,4-5,8H2,1H3
InChIKeyJHADKTWUKGQVSF-UHFFFAOYSA-N
XLogP3.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896060
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
CID 116902604
[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 116897173
[1-(4-ethyl-6-methylpyrimidin-2-yl)cyclopropyl]methanol
CID 116896000
[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116896017
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
CID 116896148
6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
[3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)oxetan-3-yl]methanol
CID 116896303

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol (CID 116896019) is [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol is Cc1cc(-c2cc(Br)ccc2F)nc(C2(CO)CC2)n1.
What is the InChIKey of [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
The InChIKey is JHADKTWUKGQVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-6-13(11-7-10(16)2-3-12(11)17)19-14(18-9)15(8-20)4-5-15/h2-3,6-7,20H,4-5,8H2,1H3.
What are the key properties of [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol has a molecular weight of 337.19 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116896019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).