[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol

C15H15BrN2O — CID 116902796

IUPAC[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol
SMILESOCC1(c2nccc(-c3ccccc3Br)n2)CCC1
InChIInChI=1S/C15H15BrN2O/c16-12-5-2-1-4-11(12)13-6-9-17-14(18-13)15(10-19)7-3-8-15/h1-2,4-6,9,19H,3,7-8,10H2
InChIKeyXHEGPLSDKOFKGY-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.32
Rot. Bonds3

About [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol

[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol (PubChem CID 116902796) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol
PubChem CID116902796
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol
SMILESOCC1(c2nccc(-c3ccccc3Br)n2)CCC1
InChIInChI=1S/C15H15BrN2O/c16-12-5-2-1-4-11(12)13-6-9-17-14(18-13)15(10-19)7-3-8-15/h1-2,4-6,9,19H,3,7-8,10H2
InChIKeyXHEGPLSDKOFKGY-UHFFFAOYSA-N
XLogP3.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol
CID 116902791
[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902491
[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902697
[1-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)cyclobutyl]methanol
CID 116896211
3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
CID 116899714
[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902504
4-(2-bromophenyl)-N-methylpyrimidin-2-amine
CID 63548579
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
2-[4-(2-bromophenyl)pyrimidin-2-yl]butanoic acid
CID 116903020
[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902682
3-[4-(2-bromophenyl)pyrimidin-2-yl]-3-methylbutanoic acid
CID 116900012
[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol
CID 116902465

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol?
The IUPAC name of [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol (CID 116902796) is [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol.
What is the SMILES notation for [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol?
The canonical SMILES for [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol is OCC1(c2nccc(-c3ccccc3Br)n2)CCC1.
What is the InChIKey of [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol?
The InChIKey is XHEGPLSDKOFKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-12-5-2-1-4-11(12)13-6-9-17-14(18-13)15(10-19)7-3-8-15/h1-2,4-6,9,19H,3,7-8,10H2.
What are the key properties of [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol?
[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol has a molecular weight of 319.20 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol is sourced from PubChem (CID 116902796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).