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

C14H24N6O — CID 623998

IUPAC2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H24N6O/c1-5-6-15-11-16-12(19-14(2,3)4)18-13(17-11)20-7-9-21-10-8-20/h5H,1,6-10H2,2-4H3,(H2,15,16,17,18,19)
InChIKeySFRFKYOLTYNAML-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.52
Rot. Bonds5

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

2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 623998) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID623998
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H24N6O/c1-5-6-15-11-16-12(19-14(2,3)4)18-13(17-11)20-7-9-21-10-8-20/h5H,1,6-10H2,2-4H3,(H2,15,16,17,18,19)
InChIKeySFRFKYOLTYNAML-UHFFFAOYSA-N
XLogP1.52
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 623998) is 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SFRFKYOLTYNAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-5-6-15-11-16-12(19-14(2,3)4)18-13(17-11)20-7-9-21-10-8-20/h5H,1,6-10H2,2-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 623998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).