6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C15H24N6O — CID 56628927

IUPAC6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OCC)C2)n1
InChIInChI=1S/C15H24N6O/c1-4-8-16-13-18-14(17-9-5-2)20-15(19-13)21-10-7-12(11-21)22-6-3/h4-5,12H,1-2,6-11H2,3H3,(H2,16,17,18,19,20)
InChIKeyXOQORGIRRKHTFG-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.68
Rot. Bonds9

About 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56628927) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID56628927
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OCC)C2)n1
InChIInChI=1S/C15H24N6O/c1-4-8-16-13-18-14(17-9-5-2)20-15(19-13)21-10-7-12(11-21)22-6-3/h4-5,12H,1-2,6-11H2,3H3,(H2,16,17,18,19,20)
InChIKeyXOQORGIRRKHTFG-UHFFFAOYSA-N
XLogP1.68
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 56628927) is 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCC(OCC)C2)n1.
What is the InChIKey of 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XOQORGIRRKHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-8-16-13-18-14(17-9-5-2)20-15(19-13)21-10-7-12(11-21)22-6-3/h4-5,12H,1-2,6-11H2,3H3,(H2,16,17,18,19,20).
What are the key properties of 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 304.40 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56628927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).