6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione

C14H26N4O3 — CID 60676616

IUPAC6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCCOCC)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-4-6-9-18-12(15)11(13(19)17(3)14(18)20)16-8-7-10-21-5-2/h16H,4-10,15H2,1-3H3
InChIKeyDJRCZARFWGKFSH-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.77
Rot. Bonds9

About 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione

6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione (PubChem CID 60676616) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione
PubChem CID60676616
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCCOCC)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-4-6-9-18-12(15)11(13(19)17(3)14(18)20)16-8-7-10-21-5-2/h16H,4-10,15H2,1-3H3
InChIKeyDJRCZARFWGKFSH-UHFFFAOYSA-N
XLogP0.77
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione 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 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione (CID 60676616) is 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione is CCCCn1c(N)c(NCCCOCC)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione?
The InChIKey is DJRCZARFWGKFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-6-9-18-12(15)11(13(19)17(3)14(18)20)16-8-7-10-21-5-2/h16H,4-10,15H2,1-3H3.
What are the key properties of 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione?
6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60676616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).