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

C10H17N5O — CID 80767074

IUPAC4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O/c1-3-16-10-13-8(11-2)12-9(14-10)15-6-4-5-7-15/h3-7H2,1-2H3,(H,11,12,13,14)
InChIKeyOSXCLANNJNRGKG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.91
Rot. Bonds4

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

4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80767074) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80767074
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O/c1-3-16-10-13-8(11-2)12-9(14-10)15-6-4-5-7-15/h3-7H2,1-2H3,(H,11,12,13,14)
InChIKeyOSXCLANNJNRGKG-UHFFFAOYSA-N
XLogP0.91
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80767074) is 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OSXCLANNJNRGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-16-10-13-8(11-2)12-9(14-10)15-6-4-5-7-15/h3-7H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80767074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).