6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

C7H12BrN5 — CID 163618571

IUPAC6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(CBr)nc(NC)n1
InChIInChI=1S/C7H12BrN5/c1-3-10-7-12-5(4-8)11-6(9-2)13-7/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyHMCXJXSTEIZDRQ-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.24
Rot. Bonds4

About 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 163618571) has the molecular formula C7H12BrN5 and a molecular weight of 246.11 g/mol. Its IUPAC name is 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID163618571
Molecular FormulaC7H12BrN5
Molecular Weight246.11 g/mol
Exact Mass245.03
IUPAC Name6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(CBr)nc(NC)n1
InChIInChI=1S/C7H12BrN5/c1-3-10-7-12-5(4-8)11-6(9-2)13-7/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyHMCXJXSTEIZDRQ-UHFFFAOYSA-N
XLogP1.24
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 163643487
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
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
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12871
N,4-diethyl-6-methyl-1,3,5-triazin-2-amine
CID 21337127
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
CID 174669762
2-N-ethyl-6-propyl-1,3,5-triazine-2,4-diamine
CID 130532625

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 163618571) is 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is CCNc1nc(CBr)nc(NC)n1.
What is the InChIKey of 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HMCXJXSTEIZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN5/c1-3-10-7-12-5(4-8)11-6(9-2)13-7/h3-4H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 246.11 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163618571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).