5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one

C19H21F2N3O2 — CID 112500044

IUPAC5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one
SMILESCc1cc(Oc2ncccc2C(F)F)ccc1C1C(C)NNC(=O)C1C
InChIInChI=1S/C19H21F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,11-12,16-17,23H,1-3H3,(H,24,25)
InChIKeyUYEFWHQCYPJJRS-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.86
Rot. Bonds4

About 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one

5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one (PubChem CID 112500044) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one.

Molecular Properties

Compound Name5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one
PubChem CID112500044
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one
SMILESCc1cc(Oc2ncccc2C(F)F)ccc1C1C(C)NNC(=O)C1C
InChIInChI=1S/C19H21F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,11-12,16-17,23H,1-3H3,(H,24,25)
InChIKeyUYEFWHQCYPJJRS-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one?
The IUPAC name of 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one (CID 112500044) is 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one.
What is the SMILES notation for 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one?
The canonical SMILES for 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one is Cc1cc(Oc2ncccc2C(F)F)ccc1C1C(C)NNC(=O)C1C.
What is the InChIKey of 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one?
The InChIKey is UYEFWHQCYPJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,11-12,16-17,23H,1-3H3,(H,24,25).
What are the key properties of 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one?
5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one has a molecular weight of 361.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one is sourced from PubChem (CID 112500044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).