4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine

C8H14N4O — CID 698866

IUPAC4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C8H14N4O/c1-8(2,3)5-10-6(9)12-7(11-5)13-4/h1-4H3,(H2,9,10,11,12)
InChIKeyZDTIVGJTJOIJIH-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.76
Rot. Bonds1

About 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine

4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 698866) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID698866
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C8H14N4O/c1-8(2,3)5-10-6(9)12-7(11-5)13-4/h1-4H3,(H2,9,10,11,12)
InChIKeyZDTIVGJTJOIJIH-UHFFFAOYSA-N
XLogP0.76
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
4-Ethyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 199901
6-(1-Methylethyl)-1,3,5-triazine-2,4-diamine
CID 21498
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
6-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
4-Cyclopropyl-6-methoxy-1,3,5-triazin-2-amine
CID 2726591
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
1,3,5-Triazin-2-amine, 4-methoxy-N-methyl-6-propyl-
CID 199909
1,3,5-Triazin-2-acetonitrile, 4-amino-6-methoxy-
CID 199944
2-Ethyl-4,6-dimethoxy-1,3,5-triazine
CID 12809

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine (CID 698866) is 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is ZDTIVGJTJOIJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)5-10-6(9)12-7(11-5)13-4/h1-4H3,(H2,9,10,11,12).
What are the key properties of 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine?
4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 182.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 698866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).