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

C16H21ClN6O — CID 121137847

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cc2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C16H21ClN6O/c1-22(2)15-19-13(20-16(21-15)23(3)4)10-18-14(24)9-11-7-5-6-8-12(11)17/h5-8H,9-10H2,1-4H3,(H,18,24)
InChIKeyUVEUZVMKJWCAJG-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.52
Rot. Bonds6

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide (PubChem CID 121137847) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
PubChem CID121137847
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cc2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C16H21ClN6O/c1-22(2)15-19-13(20-16(21-15)23(3)4)10-18-14(24)9-11-7-5-6-8-12(11)17/h5-8H,9-10H2,1-4H3,(H,18,24)
InChIKeyUVEUZVMKJWCAJG-UHFFFAOYSA-N
XLogP1.52
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 122253969
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 121137861
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255058
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 122254842
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121137865
2-(2-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]acetamide
CID 97105924
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide
CID 121137894

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide (CID 121137847) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide is CN(C)c1nc(CNC(=O)Cc2ccccc2Cl)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is UVEUZVMKJWCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-22(2)15-19-13(20-16(21-15)23(3)4)10-18-14(24)9-11-7-5-6-8-12(11)17/h5-8H,9-10H2,1-4H3,(H,18,24).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 348.84 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 121137847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).