4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

C11H10BrClN4 — CID 115503898

IUPAC4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrClN4/c1-17(2)11-15-9(14-10(13)16-11)7-4-3-5-8(12)6-7/h3-6H,1-2H3
InChIKeyWOJKELDXDQMJFS-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.02
Rot. Bonds2

About 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 115503898) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID115503898
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrClN4/c1-17(2)11-15-9(14-10(13)16-11)7-4-3-5-8(12)6-7/h3-6H,1-2H3
InChIKeyWOJKELDXDQMJFS-UHFFFAOYSA-N
XLogP3.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 107290404
2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-bromophenyl)-4,6-dichloro-1,3,5-triazine;(3-chlorophenyl)boronic acid
CID 157091548
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
5-bromo-2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 82703983
4-chloro-N,N-dimethyl-6-quinolin-5-yl-1,3,5-triazin-2-amine
CID 81221970
2-(3-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 84605237
2-(3-bromophenyl)pyrimidine
CID 26967381
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 115503898) is 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(-c2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is WOJKELDXDQMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-17(2)11-15-9(14-10(13)16-11)7-4-3-5-8(12)6-7/h3-6H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 313.59 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115503898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).