2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide

C13H24N8O2 — CID 139640125

IUPAC2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(N)nc(NCC(=O)NCCC)n1
InChIInChI=1S/C13H24N8O2/c1-3-5-15-9(22)7-17-12-19-11(14)20-13(21-12)18-8-10(23)16-6-4-2/h3-8H2,1-2H3,(H,15,22)(H,16,23)(H4,14,17,18,19,20,21)
InChIKeyYUPZDJMQLTYGSK-UHFFFAOYSA-N
MW324.39 g/mol
LogP-0.67
Rot. Bonds10

About 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide

2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide (PubChem CID 139640125) has the molecular formula C13H24N8O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide
PubChem CID139640125
Molecular FormulaC13H24N8O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC Name2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(N)nc(NCC(=O)NCCC)n1
InChIInChI=1S/C13H24N8O2/c1-3-5-15-9(22)7-17-12-19-11(14)20-13(21-12)18-8-10(23)16-6-4-2/h3-8H2,1-2H3,(H,15,22)(H,16,23)(H4,14,17,18,19,20,21)
InChIKeyYUPZDJMQLTYGSK-UHFFFAOYSA-N
XLogP-0.67
TPSA146.95 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide (CID 139640125) is 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide is CCCNC(=O)CNc1nc(N)nc(NCC(=O)NCCC)n1.
What is the InChIKey of 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The InChIKey is YUPZDJMQLTYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N8O2/c1-3-5-15-9(22)7-17-12-19-11(14)20-13(21-12)18-8-10(23)16-6-4-2/h3-8H2,1-2H3,(H,15,22)(H,16,23)(H4,14,17,18,19,20,21).
What are the key properties of 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide has a molecular weight of 324.39 g/mol, XLogP of -0.67, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide is sourced from PubChem (CID 139640125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).