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

C12H21N5O — CID 4287366

IUPAC2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)(C)C)nc(OCC)n1
InChIInChI=1S/C12H21N5O/c1-6-8-13-9-14-10(17-12(3,4)5)16-11(15-9)18-7-2/h6H,1,7-8H2,2-5H3,(H2,13,14,15,16,17)
InChIKeyXMJUVDGUVPQVEW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds6

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

2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 4287366) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID4287366
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)(C)C)nc(OCC)n1
InChIInChI=1S/C12H21N5O/c1-6-8-13-9-14-10(17-12(3,4)5)16-11(15-9)18-7-2/h6H,1,7-8H2,2-5H3,(H2,13,14,15,16,17)
InChIKeyXMJUVDGUVPQVEW-UHFFFAOYSA-N
XLogP2.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-(4-Allylamino-6-methoxy-[1,3,5]triazin-2-ylamino)-2-methyl-propan-1-ol
CID 3121124
2-{[4-(Allylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino}-2-methylpropan-1-ol
CID 3238010
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 6807868
CID 35116
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
Cambridge id 5304492
CID 2056339
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 4287366) is 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NC(C)(C)C)nc(OCC)n1.
What is the InChIKey of 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XMJUVDGUVPQVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-6-8-13-9-14-10(17-12(3,4)5)16-11(15-9)18-7-2/h6H,1,7-8H2,2-5H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.08, 6 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-ethoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4287366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).