4-bromo-5-(4-methoxyphenyl)pyrimidine

C11H9BrN2O — CID 105370920

IUPAC4-bromo-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cncnc2Br)cc1
InChIInChI=1S/C11H9BrN2O/c1-15-9-4-2-8(3-5-9)10-6-13-7-14-11(10)12/h2-7H,1H3
InChIKeyLOFMZFNQSOFCCS-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.91
Rot. Bonds2

About 4-bromo-5-(4-methoxyphenyl)pyrimidine

4-bromo-5-(4-methoxyphenyl)pyrimidine (PubChem CID 105370920) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-bromo-5-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-5-(4-methoxyphenyl)pyrimidine
PubChem CID105370920
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name4-bromo-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cncnc2Br)cc1
InChIInChI=1S/C11H9BrN2O/c1-15-9-4-2-8(3-5-9)10-6-13-7-14-11(10)12/h2-7H,1H3
InChIKeyLOFMZFNQSOFCCS-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(4-phenylphenyl)pyrimidine
CID 105371256
3-bromo-4-[3-bromo-5-(4-methoxyphenyl)-4-pyridinyl]-5-(4-methoxyphenyl)pyridine
CID 57342779
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769
4-bromo-5-(3,4-dimethylphenyl)pyrimidine
CID 105371046
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
CID 175815577
2,6,11,15-tetrakis(4-methoxyphenyl)-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
CID 101487109
4-bromo-5-(3-methylphenyl)pyrimidine
CID 105370964
7-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine
CID 141003075
4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
CID 105370998
[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 105423037
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
CID 107290360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-bromo-5-(4-methoxyphenyl)pyrimidine (CID 105370920) is 4-bromo-5-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-bromo-5-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-bromo-5-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cncnc2Br)cc1.
What is the InChIKey of 4-bromo-5-(4-methoxyphenyl)pyrimidine?
The InChIKey is LOFMZFNQSOFCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-15-9-4-2-8(3-5-9)10-6-13-7-14-11(10)12/h2-7H,1H3.
What are the key properties of 4-bromo-5-(4-methoxyphenyl)pyrimidine?
4-bromo-5-(4-methoxyphenyl)pyrimidine has a molecular weight of 265.11 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 105370920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).