4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid

C10H7FN4O4 — CID 102973973

IUPAC4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H7FN4O4/c11-6-2-15(10(19)14-8(6)16)3-7-5(9(17)18)1-12-4-13-7/h1-2,4H,3H2,(H,17,18)(H,14,16,19)
InChIKeyIRBKTCFQIOCXQC-UHFFFAOYSA-N
MW266.19 g/mol
LogP-0.79
Rot. Bonds3

About 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid

4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 102973973) has the molecular formula C10H7FN4O4 and a molecular weight of 266.19 g/mol. Its IUPAC name is 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID102973973
Molecular FormulaC10H7FN4O4
Molecular Weight266.19 g/mol
Exact Mass266.05
IUPAC Name4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H7FN4O4/c11-6-2-15(10(19)14-8(6)16)3-7-5(9(17)18)1-12-4-13-7/h1-2,4H,3H2,(H,17,18)(H,14,16,19)
InChIKeyIRBKTCFQIOCXQC-UHFFFAOYSA-N
XLogP-0.79
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid (CID 102973973) is 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is IRBKTCFQIOCXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O4/c11-6-2-15(10(19)14-8(6)16)3-7-5(9(17)18)1-12-4-13-7/h1-2,4H,3H2,(H,17,18)(H,14,16,19).
What are the key properties of 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 266.19 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).