(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol

C12H11BrN2O2 — CID 63893821

IUPAC(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(Br)cc1C(O)c1cncnc1
InChIInChI=1S/C12H11BrN2O2/c1-17-11-3-2-9(13)4-10(11)12(16)8-5-14-7-15-6-8/h2-7,12,16H,1H3
InChIKeyFEZPPLUPHJIIQY-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.33
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol

(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol (PubChem CID 63893821) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
PubChem CID63893821
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(Br)cc1C(O)c1cncnc1
InChIInChI=1S/C12H11BrN2O2/c1-17-11-3-2-9(13)4-10(11)12(16)8-5-14-7-15-6-8/h2-7,12,16H,1H3
InChIKeyFEZPPLUPHJIIQY-UHFFFAOYSA-N
XLogP2.33
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(S)-(5-bromo-2-methoxyphenyl)-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]methanol
CID 129406581
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-pyridinyl)methanol
CID 67383458
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(3-bromofuran-2-yl)-(5-bromo-2-methoxyphenyl)methanol
CID 63941437
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol (CID 63893821) is (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol is COc1ccc(Br)cc1C(O)c1cncnc1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is FEZPPLUPHJIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-11-3-2-9(13)4-10(11)12(16)8-5-14-7-15-6-8/h2-7,12,16H,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol?
(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 295.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 63893821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).