2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

C12H24N6O — CID 57378017

IUPAC2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCC)nc(N(C)OCC)n1
InChIInChI=1S/C12H24N6O/c1-5-8-13-10-15-11(14-9-6-2)17-12(16-10)18(4)19-7-3/h5-9H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyPRJNUFMLJGTTLK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.90
Rot. Bonds9

About 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 57378017) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
PubChem CID57378017
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCC)nc(N(C)OCC)n1
InChIInChI=1S/C12H24N6O/c1-5-8-13-10-15-11(14-9-6-2)17-12(16-10)18(4)19-7-3/h5-9H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyPRJNUFMLJGTTLK-UHFFFAOYSA-N
XLogP1.90
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (CID 57378017) is 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NCCC)nc(N(C)OCC)n1.
What is the InChIKey of 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PRJNUFMLJGTTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-5-8-13-10-15-11(14-9-6-2)17-12(16-10)18(4)19-7-3/h5-9H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 268.36 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57378017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).