3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione

C8H9N3O2 — CID 601653

IUPAC3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
SMILESCc1cc(=O)n2c(n1)NC(=O)C2C
InChIInChI=1S/C8H9N3O2/c1-4-3-6(12)11-5(2)7(13)10-8(11)9-4/h3,5H,1-2H3,(H,9,10,13)
InChIKeyVNLCDRYHJYBFMO-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.06
Rot. Bonds

About 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione

3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione (PubChem CID 601653) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione.

Molecular Properties

Compound Name3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
PubChem CID601653
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
SMILESCc1cc(=O)n2c(n1)NC(=O)C2C
InChIInChI=1S/C8H9N3O2/c1-4-3-6(12)11-5(2)7(13)10-8(11)9-4/h3,5H,1-2H3,(H,9,10,13)
InChIKeyVNLCDRYHJYBFMO-UHFFFAOYSA-N
XLogP0.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The IUPAC name of 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione (CID 601653) is 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione.
What is the SMILES notation for 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The canonical SMILES for 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione is Cc1cc(=O)n2c(n1)NC(=O)C2C.
What is the InChIKey of 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The InChIKey is VNLCDRYHJYBFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-3-6(12)11-5(2)7(13)10-8(11)9-4/h3,5H,1-2H3,(H,9,10,13).
What are the key properties of 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione has a molecular weight of 179.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione is sourced from PubChem (CID 601653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).