2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine

C10H8BrCl2N5 — CID 81271667

IUPAC2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C10H8BrCl2N5/c1-14-9-16-8(13)17-10(18-9)15-7-4-5(12)2-3-6(7)11/h2-4H,1H3,(H2,14,15,16,17,18)
InChIKeyYZYMDUJIPBVOGG-UHFFFAOYSA-N
MW349.02 g/mol
LogP3.73
Rot. Bonds3

About 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 81271667) has the molecular formula C10H8BrCl2N5 and a molecular weight of 349.02 g/mol. Its IUPAC name is 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID81271667
Molecular FormulaC10H8BrCl2N5
Molecular Weight349.02 g/mol
Exact Mass346.93
IUPAC Name2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C10H8BrCl2N5/c1-14-9-16-8(13)17-10(18-9)15-7-4-5(12)2-3-6(7)11/h2-4H,1H3,(H2,14,15,16,17,18)
InChIKeyYZYMDUJIPBVOGG-UHFFFAOYSA-N
XLogP3.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81272305
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 81272535
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 107647067
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498
6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114261691

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 81271667) is 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2cc(Cl)ccc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YZYMDUJIPBVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N5/c1-14-9-16-8(13)17-10(18-9)15-7-4-5(12)2-3-6(7)11/h2-4H,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 349.02 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81271667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).