2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C13H12FN3O3 — CID 90947004

IUPAC2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(O)c(C(C(N)=O)c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H12FN3O3/c1-6-16-12(19)10(13(20)17-6)9(11(15)18)7-2-4-8(14)5-3-7/h2-5,9H,1H3,(H2,15,18)(H2,16,17,19,20)
InChIKeyBFIZATXQRUZSLB-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.54
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 90947004) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID90947004
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(O)c(C(C(N)=O)c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H12FN3O3/c1-6-16-12(19)10(13(20)17-6)9(11(15)18)7-2-4-8(14)5-3-7/h2-5,9H,1H3,(H2,15,18)(H2,16,17,19,20)
InChIKeyBFIZATXQRUZSLB-UHFFFAOYSA-N
XLogP0.54
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 90947004) is 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(O)c(C(C(N)=O)c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is BFIZATXQRUZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-6-16-12(19)10(13(20)17-6)9(11(15)18)7-2-4-8(14)5-3-7/h2-5,9H,1H3,(H2,15,18)(H2,16,17,19,20).
What are the key properties of 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 277.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 90947004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).