N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H9FN4O3 — CID 63257428

IUPACN-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9FN4O3/c12-5-1-2-6(13)7(3-5)14-10(18)8-4-9(17)16-11(19)15-8/h1-4H,13H2,(H,14,18)(H2,15,16,17,19)
InChIKeyWTPWPCCDUSMVEB-UHFFFAOYSA-N
MW264.22 g/mol
LogP0.04
Rot. Bonds2

About N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 63257428) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID63257428
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC NameN-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9FN4O3/c12-5-1-2-6(13)7(3-5)14-10(18)8-4-9(17)16-11(19)15-8/h1-4H,13H2,(H,14,18)(H2,15,16,17,19)
InChIKeyWTPWPCCDUSMVEB-UHFFFAOYSA-N
XLogP0.04
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63257543
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
CID 63257510
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 63257428) is N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is Nc1ccc(F)cc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is WTPWPCCDUSMVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c12-5-1-2-6(13)7(3-5)14-10(18)8-4-9(17)16-11(19)15-8/h1-4H,13H2,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 264.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 63257428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).