2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H17BrClN5 — CID 81286955

IUPAC2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(Br)cc2CC)n1
InChIInChI=1S/C14H17BrClN5/c1-3-7-17-13-19-12(16)20-14(21-13)18-11-6-5-10(15)8-9(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyWGJYBMRBIFTHRY-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.42
Rot. Bonds6

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

2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 81286955) has the molecular formula C14H17BrClN5 and a molecular weight of 370.68 g/mol. Its IUPAC name is 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID81286955
Molecular FormulaC14H17BrClN5
Molecular Weight370.68 g/mol
Exact Mass369.04
IUPAC Name2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(Br)cc2CC)n1
InChIInChI=1S/C14H17BrClN5/c1-3-7-17-13-19-12(16)20-14(21-13)18-11-6-5-10(15)8-9(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyWGJYBMRBIFTHRY-UHFFFAOYSA-N
XLogP4.42
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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-(5-fluoro-2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80762139
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 81287998
N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
CID 81289133
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80829938
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
4-bromo-N-butyl-2-ethylaniline
CID 81291753
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63549239

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 81286955) is 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(Nc2ccc(Br)cc2CC)n1.
What is the InChIKey of 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WGJYBMRBIFTHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN5/c1-3-7-17-13-19-12(16)20-14(21-13)18-11-6-5-10(15)8-9(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 370.68 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81286955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).