4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C12H13BrCl2N6 — CID 107794861

IUPAC4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(Br)c(Cl)c2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13BrCl2N6/c1-16-10-18-11(20-12(19-10)21(2)3)17-7-5-4-6(13)8(14)9(7)15/h4-5H,1-3H3,(H2,16,17,18,19,20)
InChIKeyMSCKNNQSKRVBLE-UHFFFAOYSA-N
MW392.09 g/mol
LogP3.79
Rot. Bonds4

About 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 107794861) has the molecular formula C12H13BrCl2N6 and a molecular weight of 392.09 g/mol. Its IUPAC name is 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID107794861
Molecular FormulaC12H13BrCl2N6
Molecular Weight392.09 g/mol
Exact Mass389.98
IUPAC Name4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(Br)c(Cl)c2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13BrCl2N6/c1-16-10-18-11(20-12(19-10)21(2)3)17-7-5-4-6(13)8(14)9(7)15/h4-5H,1-3H3,(H2,16,17,18,19,20)
InChIKeyMSCKNNQSKRVBLE-UHFFFAOYSA-N
XLogP3.79
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107795423
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294
4-N-(2-chloro-4-iodophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107604708
2-N,2-N,6-N-trimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 80748181
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80804494
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80828707
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 81271667
2-N-(2,5-dibromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80897605
2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80927563

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 107794861) is 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2ccc(Br)c(Cl)c2Cl)nc(N(C)C)n1.
What is the InChIKey of 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MSCKNNQSKRVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrCl2N6/c1-16-10-18-11(20-12(19-10)21(2)3)17-7-5-4-6(13)8(14)9(7)15/h4-5H,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 392.09 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 107794861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).