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

C18H19N7O — CID 71813143

IUPAC2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1
InChIInChI=1S/C18H19N7O/c1-20-16(26)14-4-2-3-5-15(14)24-18-22-11-21-17(25-18)23-13-8-6-12(10-19)7-9-13/h2-9,11H,10,19H2,1H3,(H,20,26)(H2,21,22,23,24,25)
InChIKeyLMSIUSJNFLQITQ-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.18
Rot. Bonds6

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

2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (PubChem CID 71813143) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
PubChem CID71813143
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1
InChIInChI=1S/C18H19N7O/c1-20-16(26)14-4-2-3-5-15(14)24-18-22-11-21-17(25-18)23-13-8-6-12(10-19)7-9-13/h2-9,11H,10,19H2,1H3,(H,20,26)(H2,21,22,23,24,25)
InChIKeyLMSIUSJNFLQITQ-UHFFFAOYSA-N
XLogP2.18
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[[4-[4-(Piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one
CID 151235424
N-[2-methyl-5-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
CID 152011470
[4-[[4-(Methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]-phenyl-methanone
CID 57394870
4-[[4-[[4-(Methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]methyl]benzamide
CID 66561647
4-[[4-[[4-Amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]methyl]benzamide
CID 70685983
2-[4-[[4,6-Di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-2-methyl-1,3-dihydroquinazolin-4-one
CID 71681492
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide
CID 71813144
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
N-[3-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]but-2-ynamide
CID 162663632
N-[3-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
CID 162671992
(E)-N-[3-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]but-2-enamide
CID 162665518
2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzamide
CID 24747156

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (CID 71813143) is 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1.
What is the InChIKey of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The InChIKey is LMSIUSJNFLQITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-20-16(26)14-4-2-3-5-15(14)24-18-22-11-21-17(25-18)23-13-8-6-12(10-19)7-9-13/h2-9,11H,10,19H2,1H3,(H,20,26)(H2,21,22,23,24,25).
What are the key properties of 2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide has a molecular weight of 349.40 g/mol, XLogP of 2.18, 6 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-methylbenzamide is sourced from PubChem (CID 71813143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).