2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide

C13H15Cl2N7O — CID 9043158

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc(N)nc(N)n1
InChIInChI=1S/C13H15Cl2N7O/c1-22(5-10-19-12(16)21-13(17)20-10)6-11(23)18-7-2-3-8(14)9(15)4-7/h2-4H,5-6H2,1H3,(H,18,23)(H4,16,17,19,20,21)
InChIKeyCACRJCCGCKBENW-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.41
Rot. Bonds5

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 9043158) has the molecular formula C13H15Cl2N7O and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID9043158
Molecular FormulaC13H15Cl2N7O
Molecular Weight356.22 g/mol
Exact Mass355.07
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc(N)nc(N)n1
InChIInChI=1S/C13H15Cl2N7O/c1-22(5-10-19-12(16)21-13(17)20-10)6-11(23)18-7-2-3-8(14)9(15)4-7/h2-4H,5-6H2,1H3,(H,18,23)(H4,16,17,19,20,21)
InChIKeyCACRJCCGCKBENW-UHFFFAOYSA-N
XLogP1.41
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
methyl 3-[[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 9198110
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 78787930
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 9041893
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide (CID 9043158) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is CACRJCCGCKBENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N7O/c1-22(5-10-19-12(16)21-13(17)20-10)6-11(23)18-7-2-3-8(14)9(15)4-7/h2-4H,5-6H2,1H3,(H,18,23)(H4,16,17,19,20,21).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 356.22 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 9043158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).