6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione

C6H6FN3O2 — CID 112639994

IUPAC6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESO=C1NC2=NCCN2C(=O)C1F
InChIInChI=1S/C6H6FN3O2/c7-3-4(11)9-6-8-1-2-10(6)5(3)12/h3H,1-2H2,(H,8,9,11)
InChIKeyBMXGYBJUEFKMGN-UHFFFAOYSA-N
MW171.13 g/mol
LogP-1.35
Rot. Bonds

About 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione

6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (PubChem CID 112639994) has the molecular formula C6H6FN3O2 and a molecular weight of 171.13 g/mol. Its IUPAC name is 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
PubChem CID112639994
Molecular FormulaC6H6FN3O2
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC Name6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESO=C1NC2=NCCN2C(=O)C1F
InChIInChI=1S/C6H6FN3O2/c7-3-4(11)9-6-8-1-2-10(6)5(3)12/h3H,1-2H2,(H,8,9,11)
InChIKeyBMXGYBJUEFKMGN-UHFFFAOYSA-N
XLogP-1.35
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-1.35
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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Related Compounds

Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
3-Fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640039
6,6-dimethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639997
3-Methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
CID 130005636
3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 130166065

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (CID 112639994) is 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is O=C1NC2=NCCN2C(=O)C1F.
What is the InChIKey of 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The InChIKey is BMXGYBJUEFKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O2/c7-3-4(11)9-6-8-1-2-10(6)5(3)12/h3H,1-2H2,(H,8,9,11).
What are the key properties of 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione has a molecular weight of 171.13 g/mol, XLogP of -1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 112639994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).