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

C20H22ClN7O2 — CID 26434861

IUPAC2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C20H22ClN7O2/c1-28(12-18(29)23-14-8-4-3-7-13(14)21)11-17-25-19(22)27-20(26-17)24-15-9-5-6-10-16(15)30-2/h3-10H,11-12H2,1-2H3,(H,23,29)(H3,22,24,25,26,27)
InChIKeyPFZGTXQAXLLYLC-UHFFFAOYSA-N
MW427.90 g/mol
LogP2.93
Rot. Bonds8

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

2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 26434861) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID26434861
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC Name2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C20H22ClN7O2/c1-28(12-18(29)23-14-8-4-3-7-13(14)21)11-17-25-19(22)27-20(26-17)24-15-9-5-6-10-16(15)30-2/h3-10H,11-12H2,1-2H3,(H,23,29)(H3,22,24,25,26,27)
InChIKeyPFZGTXQAXLLYLC-UHFFFAOYSA-N
XLogP2.93
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
6-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 112805991
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
6-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 24512371
2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8844622
2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N,N-diethylacetamide
CID 55410697
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9043158

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide (CID 26434861) is 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide is COc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is PFZGTXQAXLLYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-28(12-18(29)23-14-8-4-3-7-13(14)21)11-17-25-19(22)27-20(26-17)24-15-9-5-6-10-16(15)30-2/h3-10H,11-12H2,1-2H3,(H,23,29)(H3,22,24,25,26,27).
What are the key properties of 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 427.90 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 26434861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).