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

C8H11FN4O2 — CID 80550518

IUPAC5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(N2CCNCC2)NC(=O)C1F
InChIInChI=1S/C8H11FN4O2/c9-5-6(14)11-8(12-7(5)15)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14,15)
InChIKeyHTWCKLOZWLWZHA-UHFFFAOYSA-N
MW214.20 g/mol
LogP-1.76
Rot. Bonds

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

5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 80550518) has the molecular formula C8H11FN4O2 and a molecular weight of 214.20 g/mol. Its IUPAC name is 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID80550518
Molecular FormulaC8H11FN4O2
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Name5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(N2CCNCC2)NC(=O)C1F
InChIInChI=1S/C8H11FN4O2/c9-5-6(14)11-8(12-7(5)15)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14,15)
InChIKeyHTWCKLOZWLWZHA-UHFFFAOYSA-N
XLogP-1.76
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6(1H,5H)-Pyrimidinedione, 2-piperidino-
CID 3045889
2-(1,4-diazepan-1-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550603
5-fluoro-2-(piperazin-1-ylmethyl)-1H-pyrimidine-4,6-dione
CID 80550791
6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639994
3-Fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640039
3-[4-[N-(2,2-difluoroethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 120066101
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
3-[[formamido-(4-methylpiperazin-1-yl)methylidene]amino]-N-methylpropanamide
CID 118617365
2-(4-methylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215288
2-(4-ethylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215289
5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 76998598
2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 79500738

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (CID 80550518) is 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is O=C1N=C(N2CCNCC2)NC(=O)C1F.
What is the InChIKey of 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is HTWCKLOZWLWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O2/c9-5-6(14)11-8(12-7(5)15)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14,15).
What are the key properties of 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 214.20 g/mol, XLogP of -1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).