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

C13H17N3O3 — CID 58171472

IUPAC2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione
SMILESCCCCC1CC(=O)c2nc(N)n(C)c(=O)c2C1=O
InChIInChI=1S/C13H17N3O3/c1-3-4-5-7-6-8(17)10-9(11(7)18)12(19)16(2)13(14)15-10/h7H,3-6H2,1-2H3,(H2,14,15)
InChIKeyVNDKBJPFGOHGOZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.94
Rot. Bonds3

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

2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione (PubChem CID 58171472) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione.

Molecular Properties

Compound Name2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione
PubChem CID58171472
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione
SMILESCCCCC1CC(=O)c2nc(N)n(C)c(=O)c2C1=O
InChIInChI=1S/C13H17N3O3/c1-3-4-5-7-6-8(17)10-9(11(7)18)12(19)16(2)13(14)15-10/h7H,3-6H2,1-2H3,(H2,14,15)
InChIKeyVNDKBJPFGOHGOZ-UHFFFAOYSA-N
XLogP0.94
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione?
The IUPAC name of 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione (CID 58171472) is 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione.
What is the SMILES notation for 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione?
The canonical SMILES for 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione is CCCCC1CC(=O)c2nc(N)n(C)c(=O)c2C1=O.
What is the InChIKey of 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione?
The InChIKey is VNDKBJPFGOHGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-4-5-7-6-8(17)10-9(11(7)18)12(19)16(2)13(14)15-10/h7H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione?
2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione has a molecular weight of 263.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione is sourced from PubChem (CID 58171472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).