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

C8H13N5O — CID 27396198

IUPAC2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C8H13N5O/c1-4-5-14-8-11-6(9)10-7(12-8)13(2)3/h4H,1,5H2,2-3H3,(H2,9,10,11,12)
InChIKeyYQJOKSKMAJDZOX-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.08
Rot. Bonds4

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

2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 27396198) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID27396198
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C8H13N5O/c1-4-5-14-8-11-6(9)10-7(12-8)13(2)3/h4H,1,5H2,2-3H3,(H2,9,10,11,12)
InChIKeyYQJOKSKMAJDZOX-UHFFFAOYSA-N
XLogP0.08
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
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,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 27396198) is 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YQJOKSKMAJDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-4-5-14-8-11-6(9)10-7(12-8)13(2)3/h4H,1,5H2,2-3H3,(H2,9,10,11,12).
What are the key properties of 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 195.23 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 27396198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).