(5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid

C8H10FN3O3 — CID 146389035

IUPAC(5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid
SMILESCC(C)n1cc(F)c(NC(=O)O)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-4(2)12-3-5(9)6(10-7(12)13)11-8(14)15/h3-4H,1-2H3,(H,14,15)(H,10,11,13)
InChIKeyUZDZLCMUFBEFLJ-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.05
Rot. Bonds2

About (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid

(5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid (PubChem CID 146389035) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid
PubChem CID146389035
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name(5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid
SMILESCC(C)n1cc(F)c(NC(=O)O)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-4(2)12-3-5(9)6(10-7(12)13)11-8(14)15/h3-4H,1-2H3,(H,14,15)(H,10,11,13)
InChIKeyUZDZLCMUFBEFLJ-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid?
The IUPAC name of (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid (CID 146389035) is (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid.
What is the SMILES notation for (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid?
The canonical SMILES for (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid is CC(C)n1cc(F)c(NC(=O)O)nc1=O.
What is the InChIKey of (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid?
The InChIKey is UZDZLCMUFBEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-4(2)12-3-5(9)6(10-7(12)13)11-8(14)15/h3-4H,1-2H3,(H,14,15)(H,10,11,13).
What are the key properties of (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid?
(5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid has a molecular weight of 215.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid is sourced from PubChem (CID 146389035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).