4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

C9H10FN5O2 — CID 80856428

IUPAC4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1ncc(F)c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H10FN5O2/c1-11-9-12-2-5(10)8(14-9)15-3-6(16)13-7(17)4-15/h2H,3-4H2,1H3,(H,11,12,14)(H,13,16,17)
InChIKeyFSJWGVSJRQGNTQ-UHFFFAOYSA-N
MW239.21 g/mol
LogP-0.88
Rot. Bonds2

About 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 80856428) has the molecular formula C9H10FN5O2 and a molecular weight of 239.21 g/mol. Its IUPAC name is 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID80856428
Molecular FormulaC9H10FN5O2
Molecular Weight239.21 g/mol
Exact Mass239.08
IUPAC Name4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1ncc(F)c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H10FN5O2/c1-11-9-12-2-5(10)8(14-9)15-3-6(16)13-7(17)4-15/h2H,3-4H2,1H3,(H,11,12,14)(H,13,16,17)
InChIKeyFSJWGVSJRQGNTQ-UHFFFAOYSA-N
XLogP-0.88
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851301
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80764971
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-3,3-dimethylpiperazine-2,6-dione
CID 80851307
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629584
4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80798443
4-(5-chloro-3-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 79727997
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855498
[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782658
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (CID 80856428) is 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is CNc1ncc(F)c(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is FSJWGVSJRQGNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2/c1-11-9-12-2-5(10)8(14-9)15-3-6(16)13-7(17)4-15/h2H,3-4H2,1H3,(H,11,12,14)(H,13,16,17).
What are the key properties of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 239.21 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 80856428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).