5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine

C11H8Br2ClN3O — CID 24946892

IUPAC5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
SMILESCOc1ccc(Br)cc1-c1nc(N)nc(Cl)c1Br
InChIInChI=1S/C11H8Br2ClN3O/c1-18-7-3-2-5(12)4-6(7)9-8(13)10(14)17-11(15)16-9/h2-4H,1H3,(H2,15,16,17)
InChIKeySCWGFZVTDSGXEE-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine

5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine (PubChem CID 24946892) has the molecular formula C11H8Br2ClN3O and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
PubChem CID24946892
Molecular FormulaC11H8Br2ClN3O
Molecular Weight393.47 g/mol
Exact Mass390.87
IUPAC Name5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
SMILESCOc1ccc(Br)cc1-c1nc(N)nc(Cl)c1Br
InChIInChI=1S/C11H8Br2ClN3O/c1-18-7-3-2-5(12)4-6(7)9-8(13)10(14)17-11(15)16-9/h2-4H,1H3,(H2,15,16,17)
InChIKeySCWGFZVTDSGXEE-UHFFFAOYSA-N
XLogP3.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
3-(5-bromo-2-methoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 82134756
6-bromo-2-(5-bromo-2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618959
3-(5-bromo-2-methoxyphenyl)-4-chloro-1H-pyrazole-5-carboxylic acid
CID 116858457
4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
CID 116832589
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 62219092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine (CID 24946892) is 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine is COc1ccc(Br)cc1-c1nc(N)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine?
The InChIKey is SCWGFZVTDSGXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3O/c1-18-7-3-2-5(12)4-6(7)9-8(13)10(14)17-11(15)16-9/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine?
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine has a molecular weight of 393.47 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 24946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).