4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

C10H12FN5O2 — CID 80851301

IUPAC4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCNc1ncc(F)c(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C10H12FN5O2/c1-5-9(18)14-7(17)4-16(5)8-6(11)3-13-10(12-2)15-8/h3,5H,4H2,1-2H3,(H,12,13,15)(H,14,17,18)
InChIKeyNVIBQFIBBYHBLE-UHFFFAOYSA-N
MW253.24 g/mol
LogP-0.49
Rot. Bonds2

About 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (PubChem CID 80851301) has the molecular formula C10H12FN5O2 and a molecular weight of 253.24 g/mol. Its IUPAC name is 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
PubChem CID80851301
Molecular FormulaC10H12FN5O2
Molecular Weight253.24 g/mol
Exact Mass253.10
IUPAC Name4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCNc1ncc(F)c(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C10H12FN5O2/c1-5-9(18)14-7(17)4-16(5)8-6(11)3-13-10(12-2)15-8/h3,5H,4H2,1-2H3,(H,12,13,15)(H,14,17,18)
InChIKeyNVIBQFIBBYHBLE-UHFFFAOYSA-N
XLogP-0.49
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.49
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]piperazine-2,6-dione
CID 80856428
3-methyl-4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazine-2,6-dione
CID 103328722
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 114072480
3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80851054
4-(2-amino-5-chloropyrimidin-4-yl)-3-methylpiperazine-2,6-dione
CID 80850976
5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
CID 80836377
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80850978
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80806637
4-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66278903
3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
CID 113424128
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66233228

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (CID 80851301) is 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione is CNc1ncc(F)c(N2CC(=O)NC(=O)C2C)n1.
What is the InChIKey of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The InChIKey is NVIBQFIBBYHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2/c1-5-9(18)14-7(17)4-16(5)8-6(11)3-13-10(12-2)15-8/h3,5H,4H2,1-2H3,(H,12,13,15)(H,14,17,18).
What are the key properties of 4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione has a molecular weight of 253.24 g/mol, XLogP of -0.49, 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]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 80851301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).