[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate

C19H19N5O3 — CID 2554018

IUPAC[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C19H19N5O3/c1-12-7-3-5-9-14(12)21-19-23-16(22-18(20)24-19)11-27-17(25)13-8-4-6-10-15(13)26-2/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyBVHOOIYRJZUCGY-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.87
Rot. Bonds6

About [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate (PubChem CID 2554018) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate.

Molecular Properties

Compound Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate
PubChem CID2554018
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C19H19N5O3/c1-12-7-3-5-9-14(12)21-19-23-16(22-18(20)24-19)11-27-17(25)13-8-4-6-10-15(13)26-2/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyBVHOOIYRJZUCGY-UHFFFAOYSA-N
XLogP2.87
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate?
The IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate (CID 2554018) is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate.
What is the SMILES notation for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate?
The canonical SMILES for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1.
What is the InChIKey of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate?
The InChIKey is BVHOOIYRJZUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-7-3-5-9-14(12)21-19-23-16(22-18(20)24-19)11-27-17(25)13-8-4-6-10-15(13)26-2/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate?
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate has a molecular weight of 365.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxybenzoate is sourced from PubChem (CID 2554018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).