4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one

C11H10FN3O2 — CID 152778399

IUPAC4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one
SMILESNC1(C(=O)c2ccccc2)NC(=O)NC=C1F
InChIInChI=1S/C11H10FN3O2/c12-8-6-14-10(17)15-11(8,13)9(16)7-4-2-1-3-5-7/h1-6H,13H2,(H2,14,15,17)
InChIKeyYFFMCRGRRYQJNR-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.65
Rot. Bonds2

About 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one

4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one (PubChem CID 152778399) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one
PubChem CID152778399
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one
SMILESNC1(C(=O)c2ccccc2)NC(=O)NC=C1F
InChIInChI=1S/C11H10FN3O2/c12-8-6-14-10(17)15-11(8,13)9(16)7-4-2-1-3-5-7/h1-6H,13H2,(H2,14,15,17)
InChIKeyYFFMCRGRRYQJNR-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzyluracil
CID 236212
5-Phenyluracil
CID 287110
N-[2-oxo-2-phenyl-1-(piperidin-1-yl)ethyl]acetamide
CID 3092544
6-Benzoyl-1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-pyrimidine-2,4-dione
CID 483488
3-Benzoyluracil
CID 569513
5-(3-oxo-3-phenylprop-1-ynyl)-1H-pyrimidine-2,4-dione
CID 359098
Benzamide, N,N'-(2-oxo-2-phenylethylidene)bis-
CID 1101094
6-Amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
CID 2374101
6-Benzoyl-1-(cyclopent-3-en-1-ylmethyl)-5-isopropyl-pyrimidine-2,4-dione
CID 45272480
ST031403
CID 714775
N-(Benzylcarbamoyl)-2-fluoro-benzamide
CID 871614
2,2,2-trifluoro-N-(2-oxo-2-phenylethyl)acetamide
CID 10857292

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one (CID 152778399) is 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one is NC1(C(=O)c2ccccc2)NC(=O)NC=C1F.
What is the InChIKey of 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one?
The InChIKey is YFFMCRGRRYQJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-6-14-10(17)15-11(8,13)9(16)7-4-2-1-3-5-7/h1-6H,13H2,(H2,14,15,17).
What are the key properties of 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one?
4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one has a molecular weight of 235.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-benzoyl-5-fluoro-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 152778399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).