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

C13H16ClN7O — CID 9040102

IUPACN-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(N)nc(N)n1
InChIInChI=1S/C13H16ClN7O/c1-21(6-10-18-12(15)20-13(16)19-10)7-11(22)17-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,17,22)(H4,15,16,18,19,20)
InChIKeyIEQMHYOHFXRLSF-UHFFFAOYSA-N
MW321.77 g/mol
LogP0.76
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide (PubChem CID 9040102) has the molecular formula C13H16ClN7O and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
PubChem CID9040102
Molecular FormulaC13H16ClN7O
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC NameN-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(N)nc(N)n1
InChIInChI=1S/C13H16ClN7O/c1-21(6-10-18-12(15)20-13(16)19-10)7-11(22)17-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,17,22)(H4,15,16,18,19,20)
InChIKeyIEQMHYOHFXRLSF-UHFFFAOYSA-N
XLogP0.76
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9043158
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252968
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide (CID 9040102) is N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(N)nc(N)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide?
The InChIKey is IEQMHYOHFXRLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN7O/c1-21(6-10-18-12(15)20-13(16)19-10)7-11(22)17-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,17,22)(H4,15,16,18,19,20).
What are the key properties of N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide?
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide has a molecular weight of 321.77 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 9040102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).