2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide

C20H24F2N6O2 — CID 122255103

IUPAC2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24F2N6O2/c21-15-4-3-14(16(22)12-15)11-18(29)23-13-17-24-19(27-5-1-2-6-27)26-20(25-17)28-7-9-30-10-8-28/h3-4,12H,1-2,5-11,13H2,(H,23,29)
InChIKeyIGDOKVKRAFGOBI-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.45
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide

2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide (PubChem CID 122255103) has the molecular formula C20H24F2N6O2 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
PubChem CID122255103
Molecular FormulaC20H24F2N6O2
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24F2N6O2/c21-15-4-3-14(16(22)12-15)11-18(29)23-13-17-24-19(27-5-1-2-6-27)26-20(25-17)28-7-9-30-10-8-28/h3-4,12H,1-2,5-11,13H2,(H,23,29)
InChIKeyIGDOKVKRAFGOBI-UHFFFAOYSA-N
XLogP1.45
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
CID 122254848
2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255058
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide
CID 122255172
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyridine-2-carboxamide
CID 122255004
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121138152
4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122255088
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 122254842
4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide
CID 50874129

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide (CID 122255103) is 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide is O=C(Cc1ccc(F)cc1F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The InChIKey is IGDOKVKRAFGOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O2/c21-15-4-3-14(16(22)12-15)11-18(29)23-13-17-24-19(27-5-1-2-6-27)26-20(25-17)28-7-9-30-10-8-28/h3-4,12H,1-2,5-11,13H2,(H,23,29).
What are the key properties of 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide is sourced from PubChem (CID 122255103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).