2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide

C12H22N6O2 — CID 80806098

IUPAC2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
SMILESCCCOc1nc(N)nc(N(CCC)CC(=O)NC)n1
InChIInChI=1S/C12H22N6O2/c1-4-6-18(8-9(19)14-3)11-15-10(13)16-12(17-11)20-7-5-2/h4-8H2,1-3H3,(H,14,19)(H2,13,15,16,17)
InChIKeyFENCTJVINNNHMP-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.20
Rot. Bonds8

About 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide

2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide (PubChem CID 80806098) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
PubChem CID80806098
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
SMILESCCCOc1nc(N)nc(N(CCC)CC(=O)NC)n1
InChIInChI=1S/C12H22N6O2/c1-4-6-18(8-9(19)14-3)11-15-10(13)16-12(17-11)20-7-5-2/h4-8H2,1-3H3,(H,14,19)(H2,13,15,16,17)
InChIKeyFENCTJVINNNHMP-UHFFFAOYSA-N
XLogP0.20
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide (CID 80806098) is 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide is CCCOc1nc(N)nc(N(CCC)CC(=O)NC)n1.
What is the InChIKey of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
The InChIKey is FENCTJVINNNHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-6-18(8-9(19)14-3)11-15-10(13)16-12(17-11)20-7-5-2/h4-8H2,1-3H3,(H,14,19)(H2,13,15,16,17).
What are the key properties of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide has a molecular weight of 282.35 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 80806098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).