2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine

C19H28BrN5 — CID 10621342

IUPAC2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C19H28BrN5/c1-7-24(8-2)18-21-14(6)22-19(23-18)25(9-3)17-11-10-15(13(4)5)12-16(17)20/h10-13H,7-9H2,1-6H3
InChIKeyYAPKWALZZIDMSJ-UHFFFAOYSA-N
MW406.37 g/mol
LogP5.07
Rot. Bonds7

About 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine

2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 10621342) has the molecular formula C19H28BrN5 and a molecular weight of 406.37 g/mol. Its IUPAC name is 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID10621342
Molecular FormulaC19H28BrN5
Molecular Weight406.37 g/mol
Exact Mass405.15
IUPAC Name2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C19H28BrN5/c1-7-24(8-2)18-21-14(6)22-19(23-18)25(9-3)17-11-10-15(13(4)5)12-16(17)20/h10-13H,7-9H2,1-6H3
InChIKeyYAPKWALZZIDMSJ-UHFFFAOYSA-N
XLogP5.07
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine (CID 10621342) is 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YAPKWALZZIDMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN5/c1-7-24(8-2)18-21-14(6)22-19(23-18)25(9-3)17-11-10-15(13(4)5)12-16(17)20/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 406.37 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10621342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).