2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 783139

IUPAC2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC2CCCCC2)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-5-21-14-18-12(16-11-9-7-6-8-10-11)17-13(19-14)20-15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyDCSXOEAYTDGVPO-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.23
Rot. Bonds5

About 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 783139) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID783139
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC2CCCCC2)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-5-21-14-18-12(16-11-9-7-6-8-10-11)17-13(19-14)20-15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyDCSXOEAYTDGVPO-UHFFFAOYSA-N
XLogP3.23
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 783139) is 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(NC2CCCCC2)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DCSXOEAYTDGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-21-14-18-12(16-11-9-7-6-8-10-11)17-13(19-14)20-15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-cyclohexyl-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 783139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).