2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C8H11N3O — CID 136506115

IUPAC2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C)Cn2c(nccc2=O)N1
InChIInChI=1S/C8H11N3O/c1-8(2)5-11-6(12)3-4-9-7(11)10-8/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyADQWSRGGCLKVJL-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.45
Rot. Bonds

About 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 136506115) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID136506115
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C)Cn2c(nccc2=O)N1
InChIInChI=1S/C8H11N3O/c1-8(2)5-11-6(12)3-4-9-7(11)10-8/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyADQWSRGGCLKVJL-UHFFFAOYSA-N
XLogP0.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 136506115) is 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is CC1(C)Cn2c(nccc2=O)N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is ADQWSRGGCLKVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-8(2)5-11-6(12)3-4-9-7(11)10-8/h3-4H,5H2,1-2H3,(H,9,10).
What are the key properties of 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 165.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 136506115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).