4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine

C7H10Br2N4 — CID 23618331

IUPAC4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine
SMILESCC(C)CNc1nc(Br)nc(Br)n1
InChIInChI=1S/C7H10Br2N4/c1-4(2)3-10-7-12-5(8)11-6(9)13-7/h4H,3H2,1-2H3,(H,10,11,12,13)
InChIKeyRWBFUDDKJLCEED-UHFFFAOYSA-N
MW309.99 g/mol
LogP2.46
Rot. Bonds3

About 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine

4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine (PubChem CID 23618331) has the molecular formula C7H10Br2N4 and a molecular weight of 309.99 g/mol. Its IUPAC name is 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine
PubChem CID23618331
Molecular FormulaC7H10Br2N4
Molecular Weight309.99 g/mol
Exact Mass307.93
IUPAC Name4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine
SMILESCC(C)CNc1nc(Br)nc(Br)n1
InChIInChI=1S/C7H10Br2N4/c1-4(2)3-10-7-12-5(8)11-6(9)13-7/h4H,3H2,1-2H3,(H,10,11,12,13)
InChIKeyRWBFUDDKJLCEED-UHFFFAOYSA-N
XLogP2.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2H-tetrazol-5-amine
CID 82667932
6-chloro-4-N-(2-methylpropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 12539649
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 59765899
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
5-tert-butyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 169018412
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938692
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
3,5-dibromo-N-(2-methylpropyl)aniline
CID 154120132

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine (CID 23618331) is 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine is CC(C)CNc1nc(Br)nc(Br)n1.
What is the InChIKey of 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is RWBFUDDKJLCEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N4/c1-4(2)3-10-7-12-5(8)11-6(9)13-7/h4H,3H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine?
4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 309.99 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23618331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).