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

C22H27N7O — CID 2557692

IUPAC2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C22H27N7O/c1-4-16-10-6-8-12-18(16)24-20(30)14-29(3)13-19-26-21(23)28-22(27-19)25-17-11-7-5-9-15(17)2/h5-12H,4,13-14H2,1-3H3,(H,24,30)(H3,23,25,26,27,28)
InChIKeyFIPNHCNUEUSLNP-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.14
Rot. Bonds8

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

2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 2557692) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID2557692
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C22H27N7O/c1-4-16-10-6-8-12-18(16)24-20(30)14-29(3)13-19-26-21(23)28-22(27-19)25-17-11-7-5-9-15(17)2/h5-12H,4,13-14H2,1-3H3,(H,24,30)(H3,23,25,26,27,28)
InChIKeyFIPNHCNUEUSLNP-UHFFFAOYSA-N
XLogP3.14
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide (CID 2557692) is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1.
What is the InChIKey of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is FIPNHCNUEUSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-4-16-10-6-8-12-18(16)24-20(30)14-29(3)13-19-26-21(23)28-22(27-19)25-17-11-7-5-9-15(17)2/h5-12H,4,13-14H2,1-3H3,(H,24,30)(H3,23,25,26,27,28).
What are the key properties of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 405.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 2557692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).