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

C19H23N6+ — CID 2455288

IUPAC[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2nc(N)nc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C19H22N6/c1-13-7-9-15(10-8-13)11-21-12-17-23-18(20)25-19(24-17)22-16-6-4-3-5-14(16)2/h3-10,21H,11-12H2,1-2H3,(H3,20,22,23,24,25)/p+1
InChIKeyVXLAWPAWHNLCFL-UHFFFAOYSA-O
MW335.44 g/mol
LogP2.08
Rot. Bonds6

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

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 2455288) has the molecular formula C19H23N6+ and a molecular weight of 335.44 g/mol. Its IUPAC name is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
PubChem CID2455288
Molecular FormulaC19H23N6+
Molecular Weight335.44 g/mol
Exact Mass335.20
IUPAC Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2nc(N)nc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C19H22N6/c1-13-7-9-15(10-8-13)11-21-12-17-23-18(20)25-19(24-17)22-16-6-4-3-5-14(16)2/h3-10,21H,11-12H2,1-2H3,(H3,20,22,23,24,25)/p+1
InChIKeyVXLAWPAWHNLCFL-UHFFFAOYSA-O
XLogP2.08
TPSA93.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2608348
6-[(benzhydrylamino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4825794
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
CID 7662914
6-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2317959
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8001525
6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4793369
2-N-(2-methylphenyl)-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 7891383
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135767562
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-but-2-enoate
CID 7663688
6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8686821
1-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4682357

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium (CID 2455288) is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH2+]Cc2nc(N)nc(Nc3ccccc3C)n2)cc1.
What is the InChIKey of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is VXLAWPAWHNLCFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N6/c1-13-7-9-15(10-8-13)11-21-12-17-23-18(20)25-19(24-17)22-16-6-4-3-5-14(16)2/h3-10,21H,11-12H2,1-2H3,(H3,20,22,23,24,25)/p+1.
What are the key properties of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium?
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 335.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 2455288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).