1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione

C11H15N3O2 — CID 10966070

IUPAC1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione
SMILESCCCCN1C(=O)Cn2c1nc(C)cc2=O
InChIInChI=1S/C11H15N3O2/c1-3-4-5-13-10(16)7-14-9(15)6-8(2)12-11(13)14/h6H,3-5,7H2,1-2H3
InChIKeyWKEHPKHQIAVKJO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.70
Rot. Bonds3

About 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione

1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione (PubChem CID 10966070) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione.

Molecular Properties

Compound Name1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione
PubChem CID10966070
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione
SMILESCCCCN1C(=O)Cn2c1nc(C)cc2=O
InChIInChI=1S/C11H15N3O2/c1-3-4-5-13-10(16)7-14-9(15)6-8(2)12-11(13)14/h6H,3-5,7H2,1-2H3
InChIKeyWKEHPKHQIAVKJO-UHFFFAOYSA-N
XLogP0.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione?
The IUPAC name of 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione (CID 10966070) is 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione.
What is the SMILES notation for 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione?
The canonical SMILES for 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione is CCCCN1C(=O)Cn2c1nc(C)cc2=O.
What is the InChIKey of 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione?
The InChIKey is WKEHPKHQIAVKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-4-5-13-10(16)7-14-9(15)6-8(2)12-11(13)14/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione?
1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione has a molecular weight of 221.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-methyl-3H-imidazo[1,2-a]pyrimidine-2,5-dione is sourced from PubChem (CID 10966070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).