4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine

C9H16N4O — CID 63867907

IUPAC4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
SMILESCOCc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C9H16N4O/c1-9(2,3)7-11-6(5-14-4)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13)
InChIKeyXMBLMINXRLQONC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds2

About 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 63867907) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
PubChem CID63867907
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
SMILESCOCc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C9H16N4O/c1-9(2,3)7-11-6(5-14-4)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13)
InChIKeyXMBLMINXRLQONC-UHFFFAOYSA-N
XLogP0.90
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine (CID 63867907) is 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine is COCc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is XMBLMINXRLQONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,3)7-11-6(5-14-4)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13).
What are the key properties of 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(methoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).