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

C18H23N6O+ — CID 8592939

IUPAC[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)o1
InChIInChI=1S/C18H22N6O/c1-12-6-4-5-7-15(12)20-18-22-16(21-17(19)23-18)11-24(3)10-14-9-8-13(2)25-14/h4-9H,10-11H2,1-3H3,(H3,19,20,21,22,23)/p+1
InChIKeyVWHPSGDGZVQVLE-UHFFFAOYSA-O
MW339.42 g/mol
LogP1.62
Rot. Bonds6

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

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 8592939) has the molecular formula C18H23N6O+ and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID8592939
Molecular FormulaC18H23N6O+
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)o1
InChIInChI=1S/C18H22N6O/c1-12-6-4-5-7-15(12)20-18-22-16(21-17(19)23-18)11-24(3)10-14-9-8-13(2)25-14/h4-9H,10-11H2,1-3H3,(H3,19,20,21,22,23)/p+1
InChIKeyVWHPSGDGZVQVLE-UHFFFAOYSA-O
XLogP1.62
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium with MolForge

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Related Compounds

6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8686821
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
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 17466513
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
CID 7662914
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
CID 2455288
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2,4,5-trimethylfuran-3-carboxylate
CID 46641437
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-naphthalen-1-ylacetate
CID 7889562
6-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 46639132
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681534
6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 47065431

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 8592939) is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium is Cc1ccc(C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)o1.
What is the InChIKey of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is VWHPSGDGZVQVLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N6O/c1-12-6-4-5-7-15(12)20-18-22-16(21-17(19)23-18)11-24(3)10-14-9-8-13(2)25-14/h4-9H,10-11H2,1-3H3,(H3,19,20,21,22,23)/p+1.
What are the key properties of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 339.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8592939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).