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

C13H9Cl2F4N3O2 — CID 91453030

IUPAC5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(F)F)n(C(F)F)c1=O
InChIInChI=1S/C13H9Cl2F4N3O2/c1-4-3-6(14)5(2)20-10(4)22-11(23)7(15)8(9(16)17)21(12(18)19)13(22)24/h3,9,12H,1-2H3
InChIKeyXUOSNZGRACPDNL-UHFFFAOYSA-N
MW386.13 g/mol
LogP3.65
Rot. Bonds3

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

5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione (PubChem CID 91453030) has the molecular formula C13H9Cl2F4N3O2 and a molecular weight of 386.13 g/mol. Its IUPAC name is 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione
PubChem CID91453030
Molecular FormulaC13H9Cl2F4N3O2
Molecular Weight386.13 g/mol
Exact Mass385.00
IUPAC Name5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)c(C(F)F)n(C(F)F)c1=O
InChIInChI=1S/C13H9Cl2F4N3O2/c1-4-3-6(14)5(2)20-10(4)22-11(23)7(15)8(9(16)17)21(12(18)19)13(22)24/h3,9,12H,1-2H3
InChIKeyXUOSNZGRACPDNL-UHFFFAOYSA-N
XLogP3.65
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.13
LogP ≤ 53.65
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)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione (CID 91453030) is 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione is Cc1cc(Cl)c(C)nc1-n1c(=O)c(Cl)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)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione?
The InChIKey is XUOSNZGRACPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F4N3O2/c1-4-3-6(14)5(2)20-10(4)22-11(23)7(15)8(9(16)17)21(12(18)19)13(22)24/h3,9,12H,1-2H3.
What are the key properties of 5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione?
5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione has a molecular weight of 386.13 g/mol, XLogP of 3.65, 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)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91453030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).