2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione

C12H15N3O3 — CID 58171043

IUPAC2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione
SMILESCCCC1CC(=O)c2nc(N)n(C)c(=O)c2C1=O
InChIInChI=1S/C12H15N3O3/c1-3-4-6-5-7(16)9-8(10(6)17)11(18)15(2)12(13)14-9/h6H,3-5H2,1-2H3,(H2,13,14)
InChIKeyYWXPAFPMWCOHLK-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.55
Rot. Bonds2

About 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione

2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione (PubChem CID 58171043) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione.

Molecular Properties

Compound Name2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione
PubChem CID58171043
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione
SMILESCCCC1CC(=O)c2nc(N)n(C)c(=O)c2C1=O
InChIInChI=1S/C12H15N3O3/c1-3-4-6-5-7(16)9-8(10(6)17)11(18)15(2)12(13)14-9/h6H,3-5H2,1-2H3,(H2,13,14)
InChIKeyYWXPAFPMWCOHLK-UHFFFAOYSA-N
XLogP0.55
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione 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 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione?
The IUPAC name of 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione (CID 58171043) is 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione.
What is the SMILES notation for 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione?
The canonical SMILES for 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione is CCCC1CC(=O)c2nc(N)n(C)c(=O)c2C1=O.
What is the InChIKey of 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione?
The InChIKey is YWXPAFPMWCOHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-4-6-5-7(16)9-8(10(6)17)11(18)15(2)12(13)14-9/h6H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione?
2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione has a molecular weight of 249.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione is sourced from PubChem (CID 58171043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).