(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate

C9H12FN3O4 — CID 121461121

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
SMILESCCCNC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O4/c1-2-3-11-9(16)17-5-13-4-6(10)7(14)12-8(13)15/h4H,2-3,5H2,1H3,(H,11,16)(H,12,14,15)
InChIKeySBOBJQRKVLIYFC-UHFFFAOYSA-N
MW245.21 g/mol
LogP-0.23
Rot. Bonds4

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate (PubChem CID 121461121) has the molecular formula C9H12FN3O4 and a molecular weight of 245.21 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
PubChem CID121461121
Molecular FormulaC9H12FN3O4
Molecular Weight245.21 g/mol
Exact Mass245.08
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
SMILESCCCNC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O4/c1-2-3-11-9(16)17-5-13-4-6(10)7(14)12-8(13)15/h4H,2-3,5H2,1H3,(H,11,16)(H,12,14,15)
InChIKeySBOBJQRKVLIYFC-UHFFFAOYSA-N
XLogP-0.23
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate (CID 121461121) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate is CCCNC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate?
The InChIKey is SBOBJQRKVLIYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O4/c1-2-3-11-9(16)17-5-13-4-6(10)7(14)12-8(13)15/h4H,2-3,5H2,1H3,(H,11,16)(H,12,14,15).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate has a molecular weight of 245.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate is sourced from PubChem (CID 121461121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).