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

C14H13ClF3N3O2 — CID 18731617

IUPAC3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)cc(C(C)F)n(C(F)F)c1=O
InChIInChI=1S/C14H13ClF3N3O2/c1-6-4-9(15)8(3)19-12(6)21-11(22)5-10(7(2)16)20(13(17)18)14(21)23/h4-5,7,13H,1-3H3
InChIKeyWNJZUNBJZPNVNX-UHFFFAOYSA-N
MW347.72 g/mol
LogP3.09
Rot. Bonds3

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

3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione (PubChem CID 18731617) has the molecular formula C14H13ClF3N3O2 and a molecular weight of 347.72 g/mol. Its IUPAC name is 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione
PubChem CID18731617
Molecular FormulaC14H13ClF3N3O2
Molecular Weight347.72 g/mol
Exact Mass347.06
IUPAC Name3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c(C)nc1-n1c(=O)cc(C(C)F)n(C(F)F)c1=O
InChIInChI=1S/C14H13ClF3N3O2/c1-6-4-9(15)8(3)19-12(6)21-11(22)5-10(7(2)16)20(13(17)18)14(21)23/h4-5,7,13H,1-3H3
InChIKeyWNJZUNBJZPNVNX-UHFFFAOYSA-N
XLogP3.09
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione (CID 18731617) is 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione is Cc1cc(Cl)c(C)nc1-n1c(=O)cc(C(C)F)n(C(F)F)c1=O.
What is the InChIKey of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione?
The InChIKey is WNJZUNBJZPNVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2/c1-6-4-9(15)8(3)19-12(6)21-11(22)5-10(7(2)16)20(13(17)18)14(21)23/h4-5,7,13H,1-3H3.
What are the key properties of 3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione?
3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione has a molecular weight of 347.72 g/mol, XLogP of 3.09, 3 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)-1-(difluoromethyl)-6-(1-fluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18731617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).