4,6-di(propan-2-yl)-1,3,5-triazin-2-amine

C9H16N4 — CID 63869137

IUPAC4,6-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(C(C)C)n1
InChIInChI=1S/C9H16N4/c1-5(2)7-11-8(6(3)4)13-9(10)12-7/h5-6H,1-4H3,(H2,10,11,12,13)
InChIKeyXFAIWPWFKJHBME-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.70
Rot. Bonds2

About 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine

4,6-di(propan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 63869137) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1,3,5-triazin-2-amine
PubChem CID63869137
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4,6-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(C(C)C)n1
InChIInChI=1S/C9H16N4/c1-5(2)7-11-8(6(3)4)13-9(10)12-7/h5-6H,1-4H3,(H2,10,11,12,13)
InChIKeyXFAIWPWFKJHBME-UHFFFAOYSA-N
XLogP1.70
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine (CID 63869137) is 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is XFAIWPWFKJHBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-5(2)7-11-8(6(3)4)13-9(10)12-7/h5-6H,1-4H3,(H2,10,11,12,13).
What are the key properties of 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
4,6-di(propan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63869137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).