5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione

C9H12FN3O3 — CID 64534458

IUPAC5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CNCCO2)cc1F
InChIInChI=1S/C9H12FN3O3/c10-7-5-13(9(15)12-8(7)14)4-6-3-11-1-2-16-6/h5-6,11H,1-4H2,(H,12,14,15)
InChIKeyYBSAQLSILJLAQJ-UHFFFAOYSA-N
MW229.21 g/mol
LogP-1.34
Rot. Bonds2

About 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione

5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 64534458) has the molecular formula C9H12FN3O3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID64534458
Molecular FormulaC9H12FN3O3
Molecular Weight229.21 g/mol
Exact Mass229.09
IUPAC Name5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CNCCO2)cc1F
InChIInChI=1S/C9H12FN3O3/c10-7-5-13(9(15)12-8(7)14)4-6-3-11-1-2-16-6/h5-6,11H,1-4H2,(H,12,14,15)
InChIKeyYBSAQLSILJLAQJ-UHFFFAOYSA-N
XLogP-1.34
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione (CID 64534458) is 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CNCCO2)cc1F.
What is the InChIKey of 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is YBSAQLSILJLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3/c10-7-5-13(9(15)12-8(7)14)4-6-3-11-1-2-16-6/h5-6,11H,1-4H2,(H,12,14,15).
What are the key properties of 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 229.21 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 64534458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).