4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one

C11H8F3N3O — CID 58166482

IUPAC4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(Cc2ccc(F)cc2F)cc1F
InChIInChI=1S/C11H8F3N3O/c12-7-2-1-6(8(13)3-7)4-17-5-9(14)10(15)16-11(17)18/h1-3,5H,4H2,(H2,15,16,18)
InChIKeyZFGUFTGMNZZSIX-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.29
Rot. Bonds2

About 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one

4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one (PubChem CID 58166482) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one
PubChem CID58166482
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(Cc2ccc(F)cc2F)cc1F
InChIInChI=1S/C11H8F3N3O/c12-7-2-1-6(8(13)3-7)4-17-5-9(14)10(15)16-11(17)18/h1-3,5H,4H2,(H2,15,16,18)
InChIKeyZFGUFTGMNZZSIX-UHFFFAOYSA-N
XLogP1.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
1-Benzyl-5-methyl-4-(octylamino)-1,2-dihydropyrimidin-2-one
CID 154040010
1-Benzyl-5-methyl-4-(3-methylbutylamino)pyrimidin-2-one
CID 155557231
4-Fluorobenzylurea
CID 2737289
Urea, (2,6-difluorobenzyl)-
CID 205282
4-Amino-1-benzylpyrimidin-2(1H)-one
CID 308581
[(2-Fluorophenyl)methyl]urea
CID 1471973
5-Methyl-4-(octylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-one
CID 147330615
2-Phenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 324173
[(3-Fluorophenyl)methyl]urea
CID 28970754
4-Amino-1-(4-phenylbutyl)pyrimidin-2(1H)-one
CID 308485
3-Amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one
CID 53015115

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one (CID 58166482) is 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one is Nc1nc(=O)n(Cc2ccc(F)cc2F)cc1F.
What is the InChIKey of 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one?
The InChIKey is ZFGUFTGMNZZSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-7-2-1-6(8(13)3-7)4-17-5-9(14)10(15)16-11(17)18/h1-3,5H,4H2,(H2,15,16,18).
What are the key properties of 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one?
4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one has a molecular weight of 255.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one is sourced from PubChem (CID 58166482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).