2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide

C19H24F2N4O2 — CID 121416902

IUPAC2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H24F2N4O2/c1-5-25(11-10-24(4)19-22-13(2)12-14(3)23-19)17(26)15-8-6-7-9-16(15)27-18(20)21/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyROVKCZCKOQHYAU-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.29
Rot. Bonds8

About 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide

2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide (PubChem CID 121416902) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide
PubChem CID121416902
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H24F2N4O2/c1-5-25(11-10-24(4)19-22-13(2)12-14(3)23-19)17(26)15-8-6-7-9-16(15)27-18(20)21/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyROVKCZCKOQHYAU-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide (CID 121416902) is 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
The InChIKey is ROVKCZCKOQHYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-5-25(11-10-24(4)19-22-13(2)12-14(3)23-19)17(26)15-8-6-7-9-16(15)27-18(20)21/h6-9,12,18H,5,10-11H2,1-4H3.
What are the key properties of 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide has a molecular weight of 378.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide is sourced from PubChem (CID 121416902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).