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

C14H13Cl2F2N3O2 — CID 18717400

IUPAC5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(C)(F)F)n(C)c1=O
InChIInChI=1S/C14H13Cl2F2N3O2/c1-6-5-8(15)7(2)19-11(6)21-12(22)9(16)10(14(3,17)18)20(4)13(21)23/h5H,1-4H3
InChIKeyKAQMJQOKTGJOHV-UHFFFAOYSA-N
MW364.18 g/mol
LogP2.97
Rot. Bonds2

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

5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 18717400) has the molecular formula C14H13Cl2F2N3O2 and a molecular weight of 364.18 g/mol. Its IUPAC name is 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
PubChem CID18717400
Molecular FormulaC14H13Cl2F2N3O2
Molecular Weight364.18 g/mol
Exact Mass363.04
IUPAC Name5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(C)(F)F)n(C)c1=O
InChIInChI=1S/C14H13Cl2F2N3O2/c1-6-5-8(15)7(2)19-11(6)21-12(22)9(16)10(14(3,17)18)20(4)13(21)23/h5H,1-4H3
InChIKeyKAQMJQOKTGJOHV-UHFFFAOYSA-N
XLogP2.97
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-(5-chloro-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione (CID 18717400) is 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione is Cc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(C)(F)F)n(C)c1=O.
What is the InChIKey of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is KAQMJQOKTGJOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F2N3O2/c1-6-5-8(15)7(2)19-11(6)21-12(22)9(16)10(14(3,17)18)20(4)13(21)23/h5H,1-4H3.
What are the key properties of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 364.18 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 18717400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).