2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

C14H24N6O4 — CID 54025885

IUPAC2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(c1nc(N(C)OC)nc(N(OC)OC)n1)C(C=C)OC
InChIInChI=1S/C14H24N6O4/c1-8-10-19(11(9-2)21-4)13-15-12(18(3)22-5)16-14(17-13)20(23-6)24-7/h8-9,11H,1-2,10H2,3-7H3
InChIKeyLCDHKXADDSDWAB-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.95
Rot. Bonds11

About 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 54025885) has the molecular formula C14H24N6O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID54025885
Molecular FormulaC14H24N6O4
Molecular Weight340.38 g/mol
Exact Mass340.19
IUPAC Name2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(c1nc(N(C)OC)nc(N(OC)OC)n1)C(C=C)OC
InChIInChI=1S/C14H24N6O4/c1-8-10-19(11(9-2)21-4)13-15-12(18(3)22-5)16-14(17-13)20(23-6)24-7/h8-9,11H,1-2,10H2,3-7H3
InChIKeyLCDHKXADDSDWAB-UHFFFAOYSA-N
XLogP0.95
TPSA85.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 54025885) is 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCN(c1nc(N(C)OC)nc(N(OC)OC)n1)C(C=C)OC.
What is the InChIKey of 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LCDHKXADDSDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O4/c1-8-10-19(11(9-2)21-4)13-15-12(18(3)22-5)16-14(17-13)20(23-6)24-7/h8-9,11H,1-2,10H2,3-7H3.
What are the key properties of 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 340.38 g/mol, XLogP of 0.95, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54025885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).