6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione

C10H13N3O3 — CID 602059

IUPAC6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCCCCC1C(=O)N=C2NC(=O)CN2C1=O
InChIInChI=1S/C10H13N3O3/c1-2-3-4-6-8(15)12-10-11-7(14)5-13(10)9(6)16/h6H,2-5H2,1H3,(H,11,12,14,15)
InChIKeyVQCMQRLOQWJHDT-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.35
Rot. Bonds3

About 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione

6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (PubChem CID 602059) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.

Molecular Properties

Compound Name6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
PubChem CID602059
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCCCCC1C(=O)N=C2NC(=O)CN2C1=O
InChIInChI=1S/C10H13N3O3/c1-2-3-4-6-8(15)12-10-11-7(14)5-13(10)9(6)16/h6H,2-5H2,1H3,(H,11,12,14,15)
InChIKeyVQCMQRLOQWJHDT-UHFFFAOYSA-N
XLogP-0.35
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The IUPAC name of 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (CID 602059) is 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.
What is the SMILES notation for 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The canonical SMILES for 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is CCCCC1C(=O)N=C2NC(=O)CN2C1=O.
What is the InChIKey of 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The InChIKey is VQCMQRLOQWJHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-3-4-6-8(15)12-10-11-7(14)5-13(10)9(6)16/h6H,2-5H2,1H3,(H,11,12,14,15).
What are the key properties of 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione has a molecular weight of 223.23 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is sourced from PubChem (CID 602059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).