2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide

C19H37N9O3 — CID 166663682

IUPAC2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide
SMILESCN(C)CCCNCC(=O)NCc1nc(CNC(=O)CNCCCN(C)C)[nH]c(=O)n1
InChIInChI=1S/C19H37N9O3/c1-27(2)9-5-7-20-13-17(29)22-11-15-24-16(26-19(31)25-15)12-23-18(30)14-21-8-6-10-28(3)4/h20-21H,5-14H2,1-4H3,(H,22,29)(H,23,30)(H,24,25,26,31)
InChIKeyRUDWSPAOTJKFRQ-UHFFFAOYSA-N
MW439.57 g/mol
LogP-2.52
Rot. Bonds16

About 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide

2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide (PubChem CID 166663682) has the molecular formula C19H37N9O3 and a molecular weight of 439.57 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide
PubChem CID166663682
Molecular FormulaC19H37N9O3
Molecular Weight439.57 g/mol
Exact Mass439.30
IUPAC Name2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide
SMILESCN(C)CCCNCC(=O)NCc1nc(CNC(=O)CNCCCN(C)C)[nH]c(=O)n1
InChIInChI=1S/C19H37N9O3/c1-27(2)9-5-7-20-13-17(29)22-11-15-24-16(26-19(31)25-15)12-23-18(30)14-21-8-6-10-28(3)4/h20-21H,5-14H2,1-4H3,(H,22,29)(H,23,30)(H,24,25,26,31)
InChIKeyRUDWSPAOTJKFRQ-UHFFFAOYSA-N
XLogP-2.52
TPSA147.38 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide (CID 166663682) is 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide is CN(C)CCCNCC(=O)NCc1nc(CNC(=O)CNCCCN(C)C)[nH]c(=O)n1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide?
The InChIKey is RUDWSPAOTJKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N9O3/c1-27(2)9-5-7-20-13-17(29)22-11-15-24-16(26-19(31)25-15)12-23-18(30)14-21-8-6-10-28(3)4/h20-21H,5-14H2,1-4H3,(H,22,29)(H,23,30)(H,24,25,26,31).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide?
2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide has a molecular weight of 439.57 g/mol, XLogP of -2.52, 16 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide is sourced from PubChem (CID 166663682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).