[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium

C17H30N5O4+ — CID 162471982

IUPAC[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium
SMILESCNC(CCCC[NH3+])CN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H29N5O4/c1-12-8-22(17(26)20-16(12)25)11-15(24)21(9-13(2)23)10-14(19-3)6-4-5-7-18/h8,14,19H,4-7,9-11,18H2,1-3H3,(H,20,25,26)/p+1
InChIKeyRPDPGHYECJXYCY-UHFFFAOYSA-O
MW368.46 g/mol
LogP-1.74
Rot. Bonds11

About [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium

[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium (PubChem CID 162471982) has the molecular formula C17H30N5O4+ and a molecular weight of 368.46 g/mol. Its IUPAC name is [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium.

Molecular Properties

Compound Name[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium
PubChem CID162471982
Molecular FormulaC17H30N5O4+
Molecular Weight368.46 g/mol
Exact Mass368.23
IUPAC Name[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium
SMILESCNC(CCCC[NH3+])CN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H29N5O4/c1-12-8-22(17(26)20-16(12)25)11-15(24)21(9-13(2)23)10-14(19-3)6-4-5-7-18/h8,14,19H,4-7,9-11,18H2,1-3H3,(H,20,25,26)/p+1
InChIKeyRPDPGHYECJXYCY-UHFFFAOYSA-O
XLogP-1.74
TPSA131.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
The IUPAC name of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium (CID 162471982) is [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium.
What is the SMILES notation for [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
The canonical SMILES for [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium is CNC(CCCC[NH3+])CN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
The InChIKey is RPDPGHYECJXYCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H29N5O4/c1-12-8-22(17(26)20-16(12)25)11-15(24)21(9-13(2)23)10-14(19-3)6-4-5-7-18/h8,14,19H,4-7,9-11,18H2,1-3H3,(H,20,25,26)/p+1.
What are the key properties of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium has a molecular weight of 368.46 g/mol, XLogP of -1.74, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium is sourced from PubChem (CID 162471982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).