3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione

C15H16ClF2N3O2 — CID 18717324

IUPAC3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(C)c(C(C)(F)F)n(C)c1=O
InChIInChI=1S/C15H16ClF2N3O2/c1-7-6-10(16)9(3)19-12(7)21-13(22)8(2)11(15(4,17)18)20(5)14(21)23/h6H,1-5H3
InChIKeyIVEWVKJXRLXLBD-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.62
Rot. Bonds2

About 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione

3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 18717324) has the molecular formula C15H16ClF2N3O2 and a molecular weight of 343.76 g/mol. Its IUPAC name is 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione
PubChem CID18717324
Molecular FormulaC15H16ClF2N3O2
Molecular Weight343.76 g/mol
Exact Mass343.09
IUPAC Name3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(C)c(C(C)(F)F)n(C)c1=O
InChIInChI=1S/C15H16ClF2N3O2/c1-7-6-10(16)9(3)19-12(7)21-13(22)8(2)11(15(4,17)18)20(5)14(21)23/h6H,1-5H3
InChIKeyIVEWVKJXRLXLBD-UHFFFAOYSA-N
XLogP2.62
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione (CID 18717324) is 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione is Cc1cc(Cl)c(C)nc1-n1c(=O)c(C)c(C(C)(F)F)n(C)c1=O.
What is the InChIKey of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is IVEWVKJXRLXLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2/c1-7-6-10(16)9(3)19-12(7)21-13(22)8(2)11(15(4,17)18)20(5)14(21)23/h6H,1-5H3.
What are the key properties of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione?
3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 343.76 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 18717324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).