5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide

C12H10FN3O4 — CID 10564601

IUPAC5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCc1ccc(O)cc1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10FN3O4/c13-9-6-16(12(20)15-10(9)18)11(19)14-5-7-1-3-8(17)4-2-7/h1-4,6,17H,5H2,(H,14,19)(H,15,18,20)
InChIKeySFHFECOBZWCICB-UHFFFAOYSA-N
MW279.23 g/mol
LogP0.14
Rot. Bonds2

About 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10564601) has the molecular formula C12H10FN3O4 and a molecular weight of 279.23 g/mol. Its IUPAC name is 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10564601
Molecular FormulaC12H10FN3O4
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCc1ccc(O)cc1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10FN3O4/c13-9-6-16(12(20)15-10(9)18)11(19)14-5-7-1-3-8(17)4-2-7/h1-4,6,17H,5H2,(H,14,19)(H,15,18,20)
InChIKeySFHFECOBZWCICB-UHFFFAOYSA-N
XLogP0.14
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide (CID 10564601) is 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide is O=C(NCc1ccc(O)cc1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is SFHFECOBZWCICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4/c13-9-6-16(12(20)15-10(9)18)11(19)14-5-7-1-3-8(17)4-2-7/h1-4,6,17H,5H2,(H,14,19)(H,15,18,20).
What are the key properties of 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 279.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10564601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).