4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 80810887

IUPAC4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-3-11-21-14-18-12(15-2)17-13(19-14)16-7-6-10-20-8-4-5-9-20/h3-11H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyZJSNRPPYCIRSDA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.60
Rot. Bonds9

About 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80810887) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80810887
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-3-11-21-14-18-12(15-2)17-13(19-14)16-7-6-10-20-8-4-5-9-20/h3-11H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyZJSNRPPYCIRSDA-UHFFFAOYSA-N
XLogP1.60
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 80810887) is 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NCCCN2CCCC2)n1.
What is the InChIKey of 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZJSNRPPYCIRSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-3-11-21-14-18-12(15-2)17-13(19-14)16-7-6-10-20-8-4-5-9-20/h3-11H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80810887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).