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

C20H25ClN6O2 — CID 122255058

IUPAC2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25ClN6O2/c21-16-6-2-1-5-15(16)13-18(28)22-14-17-23-19(26-7-3-4-8-26)25-20(24-17)27-9-11-29-12-10-27/h1-2,5-6H,3-4,7-14H2,(H,22,28)
InChIKeyDYTVFQNMWQGZBS-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.82
Rot. Bonds6

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

2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide (PubChem CID 122255058) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
PubChem CID122255058
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC Name2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25ClN6O2/c21-16-6-2-1-5-15(16)13-18(28)22-14-17-23-19(26-7-3-4-8-26)25-20(24-17)27-9-11-29-12-10-27/h1-2,5-6H,3-4,7-14H2,(H,22,28)
InChIKeyDYTVFQNMWQGZBS-UHFFFAOYSA-N
XLogP1.82
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyridine-2-carboxamide
CID 122255004
(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]prop-2-enamide
CID 122255066
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255103
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955
2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121138152
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255045
4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122255088
2-(2-chlorophenyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 53164803
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide (CID 122255058) is 2-(2-chlorophenyl)-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-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide is O=C(Cc1ccccc1Cl)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The InChIKey is DYTVFQNMWQGZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c21-16-6-2-1-5-15(16)13-18(28)22-14-17-23-19(26-7-3-4-8-26)25-20(24-17)27-9-11-29-12-10-27/h1-2,5-6H,3-4,7-14H2,(H,22,28).
What are the key properties of 2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide has a molecular weight of 416.91 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide is sourced from PubChem (CID 122255058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).