N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H24N6 — CID 80797845

IUPACN-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCCC2)nc(N2CCC(C)C2)n1
InChIInChI=1S/C14H24N6/c1-3-15-12-16-13(19-7-4-5-8-19)18-14(17-12)20-9-6-11(2)10-20/h11H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyUVTGSTILFISCAF-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.75
Rot. Bonds4

About N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80797845) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80797845
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCCC2)nc(N2CCC(C)C2)n1
InChIInChI=1S/C14H24N6/c1-3-15-12-16-13(19-7-4-5-8-19)18-14(17-12)20-9-6-11(2)10-20/h11H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyUVTGSTILFISCAF-UHFFFAOYSA-N
XLogP1.75
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80797845) is N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(N2CCCC2)nc(N2CCC(C)C2)n1.
What is the InChIKey of N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UVTGSTILFISCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-3-15-12-16-13(19-7-4-5-8-19)18-14(17-12)20-9-6-11(2)10-20/h11H,3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80797845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).