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

C18H22F2N6O2 — CID 122254848

IUPAC2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
SMILESCN(C)c1nc(CNC(=O)Cc2ccc(F)cc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F2N6O2/c1-25(2)17-22-15(23-18(24-17)26-5-7-28-8-6-26)11-21-16(27)9-12-3-4-13(19)10-14(12)20/h3-4,10H,5-9,11H2,1-2H3,(H,21,27)
InChIKeyYMHYGZZYKCKHQN-UHFFFAOYSA-N
MW392.41 g/mol
LogP0.91
Rot. Bonds6

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

2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide (PubChem CID 122254848) has the molecular formula C18H22F2N6O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
PubChem CID122254848
Molecular FormulaC18H22F2N6O2
Molecular Weight392.41 g/mol
Exact Mass392.18
IUPAC Name2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
SMILESCN(C)c1nc(CNC(=O)Cc2ccc(F)cc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F2N6O2/c1-25(2)17-22-15(23-18(24-17)26-5-7-28-8-6-26)11-21-16(27)9-12-3-4-13(19)10-14(12)20/h3-4,10H,5-9,11H2,1-2H3,(H,21,27)
InChIKeyYMHYGZZYKCKHQN-UHFFFAOYSA-N
XLogP0.91
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide (CID 122254848) is 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide is CN(C)c1nc(CNC(=O)Cc2ccc(F)cc2F)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide?
The InChIKey is YMHYGZZYKCKHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N6O2/c1-25(2)17-22-15(23-18(24-17)26-5-7-28-8-6-26)11-21-16(27)9-12-3-4-13(19)10-14(12)20/h3-4,10H,5-9,11H2,1-2H3,(H,21,27).
What are the key properties of 2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide?
2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide has a molecular weight of 392.41 g/mol, XLogP of 0.91, 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-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide is sourced from PubChem (CID 122254848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).