6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione

C13H11F2N3O3 — CID 2374101

IUPAC6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccc(F)cc2F)c(=O)n(C)c1=O
InChIInChI=1S/C13H11F2N3O3/c1-17-11(16)9(12(20)18(2)13(17)21)10(19)7-4-3-6(14)5-8(7)15/h3-5H,16H2,1-2H3
InChIKeyQOCYCMJIIVBMQY-UHFFFAOYSA-N
MW295.25 g/mol
LogP0.18
Rot. Bonds2

About 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2374101) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2374101
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccc(F)cc2F)c(=O)n(C)c1=O
InChIInChI=1S/C13H11F2N3O3/c1-17-11(16)9(12(20)18(2)13(17)21)10(19)7-4-3-6(14)5-8(7)15/h3-5H,16H2,1-2H3
InChIKeyQOCYCMJIIVBMQY-UHFFFAOYSA-N
XLogP0.18
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 2374101) is 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)c2ccc(F)cc2F)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QOCYCMJIIVBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-17-11(16)9(12(20)18(2)13(17)21)10(19)7-4-3-6(14)5-8(7)15/h3-5H,16H2,1-2H3.
What are the key properties of 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 295.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2374101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).