1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one

C19H16F3N3O2 — CID 112500031

IUPAC1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one
SMILESCc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)cnc(=O)n1C
InChIInChI=1S/C19H16F3N3O2/c1-11-9-13(27-17-15(19(20,21)22)5-4-8-23-17)6-7-14(11)16-12(2)10-24-18(26)25(16)3/h4-10H,1-3H3
InChIKeyDYFZGOFCSNGJAB-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.27
Rot. Bonds3

About 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one

1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one (PubChem CID 112500031) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one
PubChem CID112500031
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one
SMILESCc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)cnc(=O)n1C
InChIInChI=1S/C19H16F3N3O2/c1-11-9-13(27-17-15(19(20,21)22)5-4-8-23-17)6-7-14(11)16-12(2)10-24-18(26)25(16)3/h4-10H,1-3H3
InChIKeyDYFZGOFCSNGJAB-UHFFFAOYSA-N
XLogP4.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
The IUPAC name of 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one (CID 112500031) is 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one.
What is the SMILES notation for 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
The canonical SMILES for 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one is Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)cnc(=O)n1C.
What is the InChIKey of 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
The InChIKey is DYFZGOFCSNGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-11-9-13(27-17-15(19(20,21)22)5-4-8-23-17)6-7-14(11)16-12(2)10-24-18(26)25(16)3/h4-10H,1-3H3.
What are the key properties of 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one has a molecular weight of 375.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidin-2-one is sourced from PubChem (CID 112500031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).