2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine

C11H16N6O — CID 90158938

IUPAC2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NCC=C)nc(N(C)OC)n1
InChIInChI=1S/C11H16N6O/c1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4/h1,6H,2,7-8H2,3-4H3,(H2,12,13,14,15,16)
InChIKeyRRTNOTRHLZPKDN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.51
Rot. Bonds7

About 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine

2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 90158938) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
PubChem CID90158938
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NCC=C)nc(N(C)OC)n1
InChIInChI=1S/C11H16N6O/c1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4/h1,6H,2,7-8H2,3-4H3,(H2,12,13,14,15,16)
InChIKeyRRTNOTRHLZPKDN-UHFFFAOYSA-N
XLogP0.51
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (CID 90158938) is 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is C#CCNc1nc(NCC=C)nc(N(C)OC)n1.
What is the InChIKey of 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RRTNOTRHLZPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4/h1,6H,2,7-8H2,3-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 248.29 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-2-N-methyl-6-N-prop-2-enyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90158938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).