2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide

C18H23ClN4O — CID 133334392

IUPAC2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCc1nc(Cl)c(C)c(N(C)CC(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H23ClN4O/c1-6-14-20-17(19)13(4)18(21-14)23(5)10-15(24)22-16-11(2)8-7-9-12(16)3/h7-9H,6,10H2,1-5H3,(H,22,24)
InChIKeyHJLUBBCXZGEABH-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.69
Rot. Bonds5

About 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 133334392) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID133334392
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCc1nc(Cl)c(C)c(N(C)CC(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H23ClN4O/c1-6-14-20-17(19)13(4)18(21-14)23(5)10-15(24)22-16-11(2)8-7-9-12(16)3/h7-9H,6,10H2,1-5H3,(H,22,24)
InChIKeyHJLUBBCXZGEABH-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 3925
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 133334372
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
N-(2,6-dimethylphenyl)-2-[methyl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]acetamide
CID 133334438
N-(2-ethyl-6-methylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593113
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
2-[[5-(diethylsulfamoyl)-2-pyridinyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9195255
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-(5-chloro-N,2-dimethylanilino)-N-(2-chloro-6-methylphenyl)acetamide
CID 90930035
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 133334392) is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide is CCc1nc(Cl)c(C)c(N(C)CC(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is HJLUBBCXZGEABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-6-14-20-17(19)13(4)18(21-14)23(5)10-15(24)22-16-11(2)8-7-9-12(16)3/h7-9H,6,10H2,1-5H3,(H,22,24).
What are the key properties of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 133334392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).