3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione

C14H14BrF2N3O2 — CID 18717309

IUPAC3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCc1cc(Br)c(C)nc1-n1c(=O)cc(C(C)(F)F)n(C)c1=O
InChIInChI=1S/C14H14BrF2N3O2/c1-7-5-9(15)8(2)18-12(7)20-11(21)6-10(14(3,16)17)19(4)13(20)22/h5-6H,1-4H3
InChIKeyIQERXIUFKVEGEA-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.42
Rot. Bonds2

About 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione

3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 18717309) has the molecular formula C14H14BrF2N3O2 and a molecular weight of 374.19 g/mol. Its IUPAC name is 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
PubChem CID18717309
Molecular FormulaC14H14BrF2N3O2
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCc1cc(Br)c(C)nc1-n1c(=O)cc(C(C)(F)F)n(C)c1=O
InChIInChI=1S/C14H14BrF2N3O2/c1-7-5-9(15)8(2)18-12(7)20-11(21)6-10(14(3,16)17)19(4)13(20)22/h5-6H,1-4H3
InChIKeyIQERXIUFKVEGEA-UHFFFAOYSA-N
XLogP2.42
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-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

1-(2-hydroxypyridin-4-yl)-4-(methyl-amino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608766
1,4,7-Trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 8003357
N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 71985299
3-bromo-5-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 72132468
1-Methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione
CID 18717219
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one
CID 18717250
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-methylpyridazin-3-one
CID 18717251
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-ethylpyridazin-3-one
CID 18717252
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717253
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
CID 18717254
3-(5-Chloro-3,6-dimethyl-1-oxidopyridin-1-ium-2-yl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
CID 18717295
3-(5-Chloro-3,6-dimethyl-2-pyridinyl)-1-methyl-6-(1,1,2,2-tetrafluoropropyl)pyrimidine-2,4-dione
CID 18717318

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione (CID 18717309) is 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione is Cc1cc(Br)c(C)nc1-n1c(=O)cc(C(C)(F)F)n(C)c1=O.
What is the InChIKey of 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is IQERXIUFKVEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O2/c1-7-5-9(15)8(2)18-12(7)20-11(21)6-10(14(3,16)17)19(4)13(20)22/h5-6H,1-4H3.
What are the key properties of 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 374.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 18717309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).