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

C9H12FN3O2 — CID 63557189

IUPAC5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCN2)cc1F
InChIInChI=1S/C9H12FN3O2/c10-7-5-13(9(15)12-8(7)14)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H,12,14,15)
InChIKeyIQJSYIWXHADKTE-UHFFFAOYSA-N
MW213.21 g/mol
LogP-0.57
Rot. Bonds2

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

5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63557189) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID63557189
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCN2)cc1F
InChIInChI=1S/C9H12FN3O2/c10-7-5-13(9(15)12-8(7)14)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H,12,14,15)
InChIKeyIQJSYIWXHADKTE-UHFFFAOYSA-N
XLogP-0.57
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione (CID 63557189) is 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CCCN2)cc1F.
What is the InChIKey of 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is IQJSYIWXHADKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-7-5-13(9(15)12-8(7)14)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H,12,14,15).
What are the key properties of 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 213.21 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63557189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).