6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione

C17H28N6O3 — CID 18275004

IUPAC6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2nc(CC(C)C)no2)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N6O3/c1-5-7-8-23-15(18)14(16(24)20-17(23)25)22(6-2)10-13-19-12(21-26-13)9-11(3)4/h11H,5-10,18H2,1-4H3,(H,20,24,25)
InChIKeyTUCCGNKAPXYFSU-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.53
Rot. Bonds9

About 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione (PubChem CID 18275004) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione
PubChem CID18275004
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2nc(CC(C)C)no2)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N6O3/c1-5-7-8-23-15(18)14(16(24)20-17(23)25)22(6-2)10-13-19-12(21-26-13)9-11(3)4/h11H,5-10,18H2,1-4H3,(H,20,24,25)
InChIKeyTUCCGNKAPXYFSU-UHFFFAOYSA-N
XLogP1.53
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-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-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione (CID 18275004) is 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CC)Cc2nc(CC(C)C)no2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
The InChIKey is TUCCGNKAPXYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-5-7-8-23-15(18)14(16(24)20-17(23)25)22(6-2)10-13-19-12(21-26-13)9-11(3)4/h11H,5-10,18H2,1-4H3,(H,20,24,25).
What are the key properties of 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 18275004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).