2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid

C6H5FN2O4 — CID 12844136

IUPAC2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C6H5FN2O4/c7-3-1-8-6(13)9(5(3)12)2-4(10)11/h1H,2H2,(H,8,13)(H,10,11)
InChIKeyNWNLKDUEVSBIKS-UHFFFAOYSA-N
MW188.11 g/mol
LogP-1.24
Rot. Bonds2

About 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid

2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid (PubChem CID 12844136) has the molecular formula C6H5FN2O4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
PubChem CID12844136
Molecular FormulaC6H5FN2O4
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C6H5FN2O4/c7-3-1-8-6(13)9(5(3)12)2-4(10)11/h1H,2H2,(H,8,13)(H,10,11)
InChIKeyNWNLKDUEVSBIKS-UHFFFAOYSA-N
XLogP-1.24
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1212068
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1378560
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
(5-Iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid
CID 1361763
2-(5-Chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 66423960
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
5-Fluorouracilcarboxylic acid
CID 129729501
3-(2-Hydroxy-ethyl)-5-fluorouracil
CID 129744301
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid (CID 12844136) is 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid is O=C(O)Cn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The InChIKey is NWNLKDUEVSBIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O4/c7-3-1-8-6(13)9(5(3)12)2-4(10)11/h1H,2H2,(H,8,13)(H,10,11).
What are the key properties of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid has a molecular weight of 188.11 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 12844136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).