N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H22N6 — CID 1096073

IUPACN-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6/c1-2-14-11-15-12(18-7-3-4-8-18)17-13(16-11)19-9-5-6-10-19/h2-10H2,1H3,(H,14,15,16,17)
InChIKeyATMSQCJMOKLYRD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.50
Rot. Bonds4

About N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 1096073) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID1096073
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6/c1-2-14-11-15-12(18-7-3-4-8-18)17-13(16-11)19-9-5-6-10-19/h2-10H2,1H3,(H,14,15,16,17)
InChIKeyATMSQCJMOKLYRD-UHFFFAOYSA-N
XLogP1.50
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 1096073) is N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ATMSQCJMOKLYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-14-11-15-12(18-7-3-4-8-18)17-13(16-11)19-9-5-6-10-19/h2-10H2,1H3,(H,14,15,16,17).
What are the key properties of N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1096073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).