2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide

C19H21N7O — CID 71813144

IUPAC2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1
InChIInChI=1S/C19H21N7O/c1-2-21-17(27)15-5-3-4-6-16(15)25-19-23-12-22-18(26-19)24-14-9-7-13(11-20)8-10-14/h3-10,12H,2,11,20H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyUZCDUNNWESYQDI-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.57
Rot. Bonds7

About 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide

2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide (PubChem CID 71813144) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide
PubChem CID71813144
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1
InChIInChI=1S/C19H21N7O/c1-2-21-17(27)15-5-3-4-6-16(15)25-19-23-12-22-18(26-19)24-14-9-7-13(11-20)8-10-14/h3-10,12H,2,11,20H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyUZCDUNNWESYQDI-UHFFFAOYSA-N
XLogP2.57
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide?
The IUPAC name of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide (CID 71813144) is 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide.
What is the SMILES notation for 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide?
The canonical SMILES for 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide is CCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1.
What is the InChIKey of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide?
The InChIKey is UZCDUNNWESYQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-21-17(27)15-5-3-4-6-16(15)25-19-23-12-22-18(26-19)24-14-9-7-13(11-20)8-10-14/h3-10,12H,2,11,20H2,1H3,(H,21,27)(H2,22,23,24,25,26).
What are the key properties of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide?
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide has a molecular weight of 363.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide is sourced from PubChem (CID 71813144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).