2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine

C21H20Br2N2O2 — CID 21232276

IUPAC2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
SMILESCOc1ccc(Cc2c(C)nc(-c3ccc(OC)c(Br)c3)nc2C)cc1Br
InChIInChI=1S/C21H20Br2N2O2/c1-12-16(9-14-5-7-19(26-3)17(22)10-14)13(2)25-21(24-12)15-6-8-20(27-4)18(23)11-15/h5-8,10-11H,9H2,1-4H3
InChIKeyNSQZTTCHIVTFKJ-UHFFFAOYSA-N
MW492.21 g/mol
LogP5.89
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine

2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine (PubChem CID 21232276) has the molecular formula C21H20Br2N2O2 and a molecular weight of 492.21 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
PubChem CID21232276
Molecular FormulaC21H20Br2N2O2
Molecular Weight492.21 g/mol
Exact Mass489.99
IUPAC Name2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
SMILESCOc1ccc(Cc2c(C)nc(-c3ccc(OC)c(Br)c3)nc2C)cc1Br
InChIInChI=1S/C21H20Br2N2O2/c1-12-16(9-14-5-7-19(26-3)17(22)10-14)13(2)25-21(24-12)15-6-8-20(27-4)18(23)11-15/h5-8,10-11H,9H2,1-4H3
InChIKeyNSQZTTCHIVTFKJ-UHFFFAOYSA-N
XLogP5.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.21
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine with MolForge

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
(1R)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951244
(1S)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951245
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63561231
2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489418
4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280524
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine (CID 21232276) is 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine is COc1ccc(Cc2c(C)nc(-c3ccc(OC)c(Br)c3)nc2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine?
The InChIKey is NSQZTTCHIVTFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Br2N2O2/c1-12-16(9-14-5-7-19(26-3)17(22)10-14)13(2)25-21(24-12)15-6-8-20(27-4)18(23)11-15/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine?
2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine has a molecular weight of 492.21 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 21232276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).