2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

C8H13N5O — CID 141233830

IUPAC2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NC)nc(NC)n1
InChIInChI=1S/C8H13N5O/c1-4-5-14-8-12-6(9-2)11-7(10-3)13-8/h4H,1,5H2,2-3H3,(H2,9,10,11,12,13)
InChIKeyAZUYAWGIJOELOK-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.52
Rot. Bonds5

About 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 141233830) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID141233830
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NC)nc(NC)n1
InChIInChI=1S/C8H13N5O/c1-4-5-14-8-12-6(9-2)11-7(10-3)13-8/h4H,1,5H2,2-3H3,(H2,9,10,11,12,13)
InChIKeyAZUYAWGIJOELOK-UHFFFAOYSA-N
XLogP0.52
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 104663
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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 141233830) is 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NC)nc(NC)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is AZUYAWGIJOELOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-4-5-14-8-12-6(9-2)11-7(10-3)13-8/h4H,1,5H2,2-3H3,(H2,9,10,11,12,13).
What are the key properties of 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 195.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141233830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).