N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine

C13H19N5O — CID 3073370

IUPACN,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(NC3CC3)nc(C3CC3)n2)C1
InChIInChI=1S/C13H19N5O/c1-19-10-6-18(7-10)13-16-11(8-2-3-8)15-12(17-13)14-9-4-5-9/h8-10H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyDEZUSWBHWQDROZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.16
Rot. Bonds5

About N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine

N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 3073370) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID3073370
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(NC3CC3)nc(C3CC3)n2)C1
InChIInChI=1S/C13H19N5O/c1-19-10-6-18(7-10)13-16-11(8-2-3-8)15-12(17-13)14-9-4-5-9/h8-10H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyDEZUSWBHWQDROZ-UHFFFAOYSA-N
XLogP1.16
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine (CID 3073370) is N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine is COC1CN(c2nc(NC3CC3)nc(C3CC3)n2)C1.
What is the InChIKey of N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DEZUSWBHWQDROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-19-10-6-18(7-10)13-16-11(8-2-3-8)15-12(17-13)14-9-4-5-9/h8-10H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine?
N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dicyclopropyl-6-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3073370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).