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

C14H11Cl2F4N3O2 — CID 18717399

IUPAC5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(C)(F)F)n(C(F)F)c1=O
InChIInChI=1S/C14H11Cl2F4N3O2/c1-5-4-7(15)6(2)21-10(5)23-11(24)8(16)9(14(3,19)20)22(12(17)18)13(23)25/h4,12H,1-3H3
InChIKeyMITIFHLKMLXKOR-UHFFFAOYSA-N
MW400.16 g/mol
LogP3.82
Rot. Bonds3

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

5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione (PubChem CID 18717399) has the molecular formula C14H11Cl2F4N3O2 and a molecular weight of 400.16 g/mol. Its IUPAC name is 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione
PubChem CID18717399
Molecular FormulaC14H11Cl2F4N3O2
Molecular Weight400.16 g/mol
Exact Mass399.02
IUPAC Name5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(C)(F)F)n(C(F)F)c1=O
InChIInChI=1S/C14H11Cl2F4N3O2/c1-5-4-7(15)6(2)21-10(5)23-11(24)8(16)9(14(3,19)20)22(12(17)18)13(23)25/h4,12H,1-3H3
InChIKeyMITIFHLKMLXKOR-UHFFFAOYSA-N
XLogP3.82
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione (CID 18717399) is 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione is Cc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(C)(F)F)n(C(F)F)c1=O.
What is the InChIKey of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione?
The InChIKey is MITIFHLKMLXKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F4N3O2/c1-5-4-7(15)6(2)21-10(5)23-11(24)8(16)9(14(3,19)20)22(12(17)18)13(23)25/h4,12H,1-3H3.
What are the key properties of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione?
5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-(difluoromethyl)pyrimidine-2,4-dione has a molecular weight of 400.16 g/mol, XLogP of 3.82, 3 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-(difluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18717399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).