5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione

C9H12FN3O2 — CID 80550852

IUPAC5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(C2CCCCN2)NC(=O)C1F
InChIInChI=1S/C9H12FN3O2/c10-6-8(14)12-7(13-9(6)15)5-3-1-2-4-11-5/h5-6,11H,1-4H2,(H,12,13,14,15)
InChIKeyCJUAWSUBKYDXKZ-UHFFFAOYSA-N
MW213.21 g/mol
LogP-0.48
Rot. Bonds1

About 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione

5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 80550852) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
PubChem CID80550852
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(C2CCCCN2)NC(=O)C1F
InChIInChI=1S/C9H12FN3O2/c10-6-8(14)12-7(13-9(6)15)5-3-1-2-4-11-5/h5-6,11H,1-4H2,(H,12,13,14,15)
InChIKeyCJUAWSUBKYDXKZ-UHFFFAOYSA-N
XLogP-0.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550492
2-(1-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550601
2-(1-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550666
2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550750
5-fluoro-2-(piperazin-1-ylmethyl)-1H-pyrimidine-4,6-dione
CID 80550791
5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
CID 80550817
5-fluoro-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 80550838
5-fluoro-2-piperidin-3-yl-1H-pyrimidine-4,6-dione
CID 80550883
5-fluoro-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
CID 80550894
5-fluoro-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 80550911
5-fluoro-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
CID 80550921
5-fluoro-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
CID 80550945

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione (CID 80550852) is 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione is O=C1N=C(C2CCCCN2)NC(=O)C1F.
What is the InChIKey of 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is CJUAWSUBKYDXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-6-8(14)12-7(13-9(6)15)5-3-1-2-4-11-5/h5-6,11H,1-4H2,(H,12,13,14,15).
What are the key properties of 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 213.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).