2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C11H19N5O — CID 70434138

IUPAC2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)(C)C)nc(OC)n1
InChIInChI=1S/C11H19N5O/c1-6-7-12-8-13-9(16-11(2,3)4)15-10(14-8)17-5/h6H,1,7H2,2-5H3,(H2,12,13,14,15,16)
InChIKeyFQYYSDPEIBRLQH-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.69
Rot. Bonds5

About 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 70434138) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID70434138
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)(C)C)nc(OC)n1
InChIInChI=1S/C11H19N5O/c1-6-7-12-8-13-9(16-11(2,3)4)15-10(14-8)17-5/h6H,1,7H2,2-5H3,(H2,12,13,14,15,16)
InChIKeyFQYYSDPEIBRLQH-UHFFFAOYSA-N
XLogP1.69
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 70434138) is 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NC(C)(C)C)nc(OC)n1.
What is the InChIKey of 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FQYYSDPEIBRLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6-7-12-8-13-9(16-11(2,3)4)15-10(14-8)17-5/h6H,1,7H2,2-5H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 1.69, 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-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70434138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).