6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

C11H10Br2ClN5 — CID 107604501

IUPAC6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2c(Br)cccc2Br)n1
InChIInChI=1S/C11H10Br2ClN5/c1-2-15-10-17-9(14)18-11(19-10)16-8-6(12)4-3-5-7(8)13/h3-5H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyHMQMUCIHWRCRGZ-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.23
Rot. Bonds4

About 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107604501) has the molecular formula C11H10Br2ClN5 and a molecular weight of 407.50 g/mol. Its IUPAC name is 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID107604501
Molecular FormulaC11H10Br2ClN5
Molecular Weight407.50 g/mol
Exact Mass404.90
IUPAC Name6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2c(Br)cccc2Br)n1
InChIInChI=1S/C11H10Br2ClN5/c1-2-15-10-17-9(14)18-11(19-10)16-8-6(12)4-3-5-7(8)13/h3-5H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyHMQMUCIHWRCRGZ-UHFFFAOYSA-N
XLogP4.23
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107602258
6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759661
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118715065

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 107604501) is 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(Nc2c(Br)cccc2Br)n1.
What is the InChIKey of 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HMQMUCIHWRCRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClN5/c1-2-15-10-17-9(14)18-11(19-10)16-8-6(12)4-3-5-7(8)13/h3-5H,2H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 407.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107604501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).