3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione

C7H8FN3O2 — CID 112640039

IUPAC3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1NC2=NCCCN2C(=O)C1F
InChIInChI=1S/C7H8FN3O2/c8-4-5(12)10-7-9-2-1-3-11(7)6(4)13/h4H,1-3H2,(H,9,10,12)
InChIKeyJMLSBDWXQATPJX-UHFFFAOYSA-N
MW185.16 g/mol
LogP-0.96
Rot. Bonds

About 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione

3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (PubChem CID 112640039) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
PubChem CID112640039
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1NC2=NCCCN2C(=O)C1F
InChIInChI=1S/C7H8FN3O2/c8-4-5(12)10-7-9-2-1-3-11(7)6(4)13/h4H,1-3H2,(H,9,10,12)
InChIKeyJMLSBDWXQATPJX-UHFFFAOYSA-N
XLogP-0.96
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639994
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-one
CID 3823704
2,3,4,7,8,9-Hexahydropyrimido[1,2-a]pyrimidin-6-one
CID 73412120
3-Ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640016
3,3-Dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640042
1,6,7,8-Tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 126973088
1-Butyl-2-butylimino-1,3-diazinane-4,6-dione
CID 135454009

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (CID 112640039) is 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is O=C1NC2=NCCCN2C(=O)C1F.
What is the InChIKey of 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is JMLSBDWXQATPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c8-4-5(12)10-7-9-2-1-3-11(7)6(4)13/h4H,1-3H2,(H,9,10,12).
What are the key properties of 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 185.16 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 112640039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).