N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H17N5O — CID 80868779

IUPACN-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C11H17N5O/c1-3-8-17-11-14-9(12-2)13-10(15-11)16-6-4-5-7-16/h3H,1,4-8H2,2H3,(H,12,13,14,15)
InChIKeyZYSVHSJQWSYZBU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.08
Rot. Bonds5

About N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80868779) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80868779
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C11H17N5O/c1-3-8-17-11-14-9(12-2)13-10(15-11)16-6-4-5-7-16/h3H,1,4-8H2,2H3,(H,12,13,14,15)
InChIKeyZYSVHSJQWSYZBU-UHFFFAOYSA-N
XLogP1.08
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80868779) is N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C=CCOc1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZYSVHSJQWSYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-8-17-11-14-9(12-2)13-10(15-11)16-6-4-5-7-16/h3H,1,4-8H2,2H3,(H,12,13,14,15).
What are the key properties of N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).