(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol

C12H11BrN2O — CID 115781608

IUPAC(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1c(Br)cccc1C(O)c1cncnc1
InChIInChI=1S/C12H11BrN2O/c1-8-10(3-2-4-11(8)13)12(16)9-5-14-7-15-6-9/h2-7,12,16H,1H3
InChIKeySNOABGYBYVFNME-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.63
Rot. Bonds2

About (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol

(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol (PubChem CID 115781608) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol
PubChem CID115781608
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1c(Br)cccc1C(O)c1cncnc1
InChIInChI=1S/C12H11BrN2O/c1-8-10(3-2-4-11(8)13)12(16)9-5-14-7-15-6-9/h2-7,12,16H,1H3
InChIKeySNOABGYBYVFNME-UHFFFAOYSA-N
XLogP2.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781644
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566
(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 63893821
1-(3-bromo-2-methylphenyl)-2,2-dichloroethanol
CID 164892436
(4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62491341
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
1-(3-bromo-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821876
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol (CID 115781608) is (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol is Cc1c(Br)cccc1C(O)c1cncnc1.
What is the InChIKey of (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is SNOABGYBYVFNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-10(3-2-4-11(8)13)12(16)9-5-14-7-15-6-9/h2-7,12,16H,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol?
(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 279.14 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 115781608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).