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

C8H14N4 — CID 63866962

IUPAC4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CC(C)C)n1
InChIInChI=1S/C8H14N4/c1-5(2)4-7-10-6(3)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyKTMKRFIZDJEKCS-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.96
Rot. Bonds2

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

4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine (PubChem CID 63866962) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine
PubChem CID63866962
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CC(C)C)n1
InChIInChI=1S/C8H14N4/c1-5(2)4-7-10-6(3)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyKTMKRFIZDJEKCS-UHFFFAOYSA-N
XLogP0.96
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine (CID 63866962) is 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(CC(C)C)n1.
What is the InChIKey of 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is KTMKRFIZDJEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5(2)4-7-10-6(3)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine?
4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63866962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).