4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine

C13H20N4O — CID 116781962

IUPAC4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine
SMILESCCOC1(c2nc(N)nc(C3CC3)n2)CCCC1
InChIInChI=1S/C13H20N4O/c1-2-18-13(7-3-4-8-13)11-15-10(9-5-6-9)16-12(14)17-11/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyAAWHEMOBIRJPKQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds4

About 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine (PubChem CID 116781962) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine
PubChem CID116781962
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine
SMILESCCOC1(c2nc(N)nc(C3CC3)n2)CCCC1
InChIInChI=1S/C13H20N4O/c1-2-18-13(7-3-4-8-13)11-15-10(9-5-6-9)16-12(14)17-11/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyAAWHEMOBIRJPKQ-UHFFFAOYSA-N
XLogP2.14
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine (CID 116781962) is 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine is CCOC1(c2nc(N)nc(C3CC3)n2)CCCC1.
What is the InChIKey of 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine?
The InChIKey is AAWHEMOBIRJPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-18-13(7-3-4-8-13)11-15-10(9-5-6-9)16-12(14)17-11/h9H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 116781962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).