5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione

C17H12F2N6O2 — CID 178059032

IUPAC5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione
SMILESCc1ncccc1-n1c(=O)[nH]c(C)c(-n2nc3cc(F)c(F)cc3n2)c1=O
InChIInChI=1S/C17H12F2N6O2/c1-8-14(4-3-5-20-8)24-16(26)15(9(2)21-17(24)27)25-22-12-6-10(18)11(19)7-13(12)23-25/h3-7H,1-2H3,(H,21,27)
InChIKeyPFXXKJGLLKTFRU-UHFFFAOYSA-N
MW370.32 g/mol
LogP1.55
Rot. Bonds2

About 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione

5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione (PubChem CID 178059032) has the molecular formula C17H12F2N6O2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione
PubChem CID178059032
Molecular FormulaC17H12F2N6O2
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione
SMILESCc1ncccc1-n1c(=O)[nH]c(C)c(-n2nc3cc(F)c(F)cc3n2)c1=O
InChIInChI=1S/C17H12F2N6O2/c1-8-14(4-3-5-20-8)24-16(26)15(9(2)21-17(24)27)25-22-12-6-10(18)11(19)7-13(12)23-25/h3-7H,1-2H3,(H,21,27)
InChIKeyPFXXKJGLLKTFRU-UHFFFAOYSA-N
XLogP1.55
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1-prop-2-ynylpyrimidine-2,4-dione
CID 178059016
7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
CID 170271414
5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
CID 158981409
7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
CID 170271302
7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525248
6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one
CID 54092688
2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one
CID 54073013
7-chloro-2-ethyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525162
1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
CID 79043323
3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
CID 178058770
6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
CID 110491246
1-(2-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 79043608

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione (CID 178059032) is 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione is Cc1ncccc1-n1c(=O)[nH]c(C)c(-n2nc3cc(F)c(F)cc3n2)c1=O.
What is the InChIKey of 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PFXXKJGLLKTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O2/c1-8-14(4-3-5-20-8)24-16(26)15(9(2)21-17(24)27)25-22-12-6-10(18)11(19)7-13(12)23-25/h3-7H,1-2H3,(H,21,27).
What are the key properties of 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione?
5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione has a molecular weight of 370.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 178059032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).