2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid

C9H11FN2O4 — CID 81296597

IUPAC2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid
SMILESCCCn1ccc(=O)n(C(F)C(=O)O)c1=O
InChIInChI=1S/C9H11FN2O4/c1-2-4-11-5-3-6(13)12(9(11)16)7(10)8(14)15/h3,5,7H,2,4H2,1H3,(H,14,15)
InChIKeyKAQIDKHAKUWFKK-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.03
Rot. Bonds4

About 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid

2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid (PubChem CID 81296597) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid
PubChem CID81296597
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid
SMILESCCCn1ccc(=O)n(C(F)C(=O)O)c1=O
InChIInChI=1S/C9H11FN2O4/c1-2-4-11-5-3-6(13)12(9(11)16)7(10)8(14)15/h3,5,7H,2,4H2,1H3,(H,14,15)
InChIKeyKAQIDKHAKUWFKK-UHFFFAOYSA-N
XLogP-0.03
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid (CID 81296597) is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid is CCCn1ccc(=O)n(C(F)C(=O)O)c1=O.
What is the InChIKey of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid?
The InChIKey is KAQIDKHAKUWFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-2-4-11-5-3-6(13)12(9(11)16)7(10)8(14)15/h3,5,7H,2,4H2,1H3,(H,14,15).
What are the key properties of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid?
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid has a molecular weight of 230.19 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81296597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).