5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione

C11H9F2N3O2 — CID 82918396

IUPAC5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione
SMILESNc1cn(Cc2ccc(F)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9F2N3O2/c12-7-2-1-6(3-8(7)13)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18)
InChIKeyADGZSORKRHGYTG-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.45
Rot. Bonds2

About 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione

5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 82918396) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID82918396
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione
SMILESNc1cn(Cc2ccc(F)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9F2N3O2/c12-7-2-1-6(3-8(7)13)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18)
InChIKeyADGZSORKRHGYTG-UHFFFAOYSA-N
XLogP0.45
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-amino-2,4-dioxopyrimidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107880872
5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 63799374
5-(2-bromoethynyl)-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione
CID 44594485
1-[(3-amino-4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 115557364
5-[(Z)-2-bromo-2-hydroxyethenyl]-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione
CID 143916985
1-[(3-bromo-4-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79785357
1-[(3-bromo-4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 81337621
5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 63799206
4-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106698855
1-[(3-chloro-4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 79875215
1-[(3-bromo-4-fluorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63811610
1-[(3-bromo-4-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 3050978

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione (CID 82918396) is 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione is Nc1cn(Cc2ccc(F)c(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ADGZSORKRHGYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-7-2-1-6(3-8(7)13)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18).
What are the key properties of 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 253.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 82918396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).