5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione

C11H10FN3O3 — CID 82171107

IUPAC5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione
SMILESNC1C(=O)N=C(COc2ccccc2F)NC1=O
InChIInChI=1S/C11H10FN3O3/c12-6-3-1-2-4-7(6)18-5-8-14-10(16)9(13)11(17)15-8/h1-4,9H,5,13H2,(H,14,15,16,17)
InChIKeyPWBYLBUJTVPKET-UHFFFAOYSA-N
MW251.22 g/mol
LogP-0.41
Rot. Bonds3

About 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione

5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione (PubChem CID 82171107) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione
PubChem CID82171107
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione
SMILESNC1C(=O)N=C(COc2ccccc2F)NC1=O
InChIInChI=1S/C11H10FN3O3/c12-6-3-1-2-4-7(6)18-5-8-14-10(16)9(13)11(17)15-8/h1-4,9H,5,13H2,(H,14,15,16,17)
InChIKeyPWBYLBUJTVPKET-UHFFFAOYSA-N
XLogP-0.41
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-5-(2-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79502012
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
4-[(2-fluorophenoxy)methyl]-1H-pyrazole
CID 130569602
2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95451026
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine
CID 117188080
[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine
CID 105494358
5-bromo-2-[(2-fluorophenoxy)methyl]-1H-imidazole
CID 117187238
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594
2-[(2-fluorophenoxy)methyl]-1,3-thiazole 1,1-dioxide
CID 117186882

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione (CID 82171107) is 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione is NC1C(=O)N=C(COc2ccccc2F)NC1=O.
What is the InChIKey of 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione?
The InChIKey is PWBYLBUJTVPKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-6-3-1-2-4-7(6)18-5-8-14-10(16)9(13)11(17)15-8/h1-4,9H,5,13H2,(H,14,15,16,17).
What are the key properties of 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione?
5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione has a molecular weight of 251.22 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-fluorophenoxy)methyl]-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 82171107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).