4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one

C10H11FN6O2 — CID 168656483

IUPAC4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C10H11FN6O2/c1-19-10-13-4-7(11)9(15-10)17-5-6(2-8(17)18)3-14-16-12/h4,6H,2-3,5H2,1H3
InChIKeyFERCEWTXLSEAPH-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.29
Rot. Bonds4

About 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168656483) has the molecular formula C10H11FN6O2 and a molecular weight of 266.24 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168656483
Molecular FormulaC10H11FN6O2
Molecular Weight266.24 g/mol
Exact Mass266.09
IUPAC Name4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C10H11FN6O2/c1-19-10-13-4-7(11)9(15-10)17-5-6(2-8(17)18)3-14-16-12/h4,6H,2-3,5H2,1H3
InChIKeyFERCEWTXLSEAPH-UHFFFAOYSA-N
XLogP1.29
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one (CID 168656483) is 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one is COc1ncc(F)c(N2CC(CN=[N+]=[N-])CC2=O)n1.
What is the InChIKey of 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is FERCEWTXLSEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O2/c1-19-10-13-4-7(11)9(15-10)17-5-6(2-8(17)18)3-14-16-12/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 266.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168656483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).