N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H24N6O — CID 78834830

IUPACN-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6O/c1-21-11-6-15-12-16-13(19-7-2-3-8-19)18-14(17-12)20-9-4-5-10-20/h2-11H2,1H3,(H,15,16,17,18)
InChIKeyZDOQRLNFERZABL-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.13
Rot. Bonds6

About N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 78834830) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID78834830
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC NameN-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6O/c1-21-11-6-15-12-16-13(19-7-2-3-8-19)18-14(17-12)20-9-4-5-10-20/h2-11H2,1H3,(H,15,16,17,18)
InChIKeyZDOQRLNFERZABL-UHFFFAOYSA-N
XLogP1.13
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
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 N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 78834830) is N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is COCCNc1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZDOQRLNFERZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-21-11-6-15-12-16-13(19-7-2-3-8-19)18-14(17-12)20-9-4-5-10-20/h2-11H2,1H3,(H,15,16,17,18).
What are the key properties of N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 78834830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).