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

C19H16N6O2 — CID 7662914

IUPAC2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
SMILESCc1ccccc1Nc1nc(N)nc(CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H16N6O2/c1-11-6-2-5-9-14(11)21-19-23-15(22-18(20)24-19)10-25-16(26)12-7-3-4-8-13(12)17(25)27/h2-9H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyBNPTUSYJZXVNSQ-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.30
Rot. Bonds4

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

2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 7662914) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
PubChem CID7662914
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
SMILESCc1ccccc1Nc1nc(N)nc(CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H16N6O2/c1-11-6-2-5-9-14(11)21-19-23-15(22-18(20)24-19)10-25-16(26)12-7-3-4-8-13(12)17(25)27/h2-9H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyBNPTUSYJZXVNSQ-UHFFFAOYSA-N
XLogP2.30
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

1-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 7858115
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495694
(5S)-3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 41190618
(5S)-3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 40795722
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
CID 2455288
6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2608348
6-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 25334254
6-[(benzhydrylamino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4825794
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
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 51518203
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-but-2-enoate
CID 7663688

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione (CID 7662914) is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione is Cc1ccccc1Nc1nc(N)nc(CN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is BNPTUSYJZXVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-11-6-2-5-9-14(11)21-19-23-15(22-18(20)24-19)10-25-16(26)12-7-3-4-8-13(12)17(25)27/h2-9H,10H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione?
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 360.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 7662914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).