4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine

C10H16N4O2 — CID 23310878

IUPAC4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OCC)nc(OCC)n1
InChIInChI=1S/C10H16N4O2/c1-4-7-11-8-12-9(15-5-2)14-10(13-8)16-6-3/h4H,1,5-7H2,2-3H3,(H,11,12,13,14)
InChIKeyZXOSQEFYDRQMSJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.27
Rot. Bonds7

About 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine

4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 23310878) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID23310878
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OCC)nc(OCC)n1
InChIInChI=1S/C10H16N4O2/c1-4-7-11-8-12-9(15-5-2)14-10(13-8)16-6-3/h4H,1,5-7H2,2-3H3,(H,11,12,13,14)
InChIKeyZXOSQEFYDRQMSJ-UHFFFAOYSA-N
XLogP1.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
2,4,6-Triallylamino-sym-triazine
CID 35080
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2-Butoxy-4,6-bis(ethylamino)-S-triazine
CID 35115
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157

Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 23310878) is 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OCC)nc(OCC)n1.
What is the InChIKey of 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is ZXOSQEFYDRQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-7-11-8-12-9(15-5-2)14-10(13-8)16-6-3/h4H,1,5-7H2,2-3H3,(H,11,12,13,14).
What are the key properties of 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23310878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).