4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C12H15BrN6 — CID 80794517

IUPAC4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H15BrN6/c1-19(2)12-17-10(14)16-11(18-12)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyMPPOIDZPJBESDP-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.89
Rot. Bonds4

About 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80794517) has the molecular formula C12H15BrN6 and a molecular weight of 323.20 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80794517
Molecular FormulaC12H15BrN6
Molecular Weight323.20 g/mol
Exact Mass322.05
IUPAC Name4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H15BrN6/c1-19(2)12-17-10(14)16-11(18-12)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyMPPOIDZPJBESDP-UHFFFAOYSA-N
XLogP1.89
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80777252
2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80794796
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82825396
2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
CID 116795732
4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 158136349
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807969
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80797100
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80794517) is 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCc2ccccc2Br)n1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MPPOIDZPJBESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6/c1-19(2)12-17-10(14)16-11(18-12)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 323.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80794517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).