2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

C18H18N6 — CID 141350806

IUPAC2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(c1ncnc(Nc3ccccc3)n1)C2
InChIInChI=1S/C18H18N6/c19-16-8-4-5-13-11-24(10-9-15(13)16)18-21-12-20-17(23-18)22-14-6-2-1-3-7-14/h1-8,12H,9-11,19H2,(H,20,21,22,23)
InChIKeyUPDRVEUZIRMATR-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 141350806) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID141350806
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(c1ncnc(Nc3ccccc3)n1)C2
InChIInChI=1S/C18H18N6/c19-16-8-4-5-13-11-24(10-9-15(13)16)18-21-12-20-17(23-18)22-14-6-2-1-3-7-14/h1-8,12H,9-11,19H2,(H,20,21,22,23)
InChIKeyUPDRVEUZIRMATR-UHFFFAOYSA-N
XLogP2.76
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 45138093
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
3-[[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312688
methyl 2-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinoline-5-carboxylate
CID 45138834
3-[[4-(5-cyano-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312696
N-[3-[[4-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562690
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 19147429
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 141350801
CID 172854912
CID 172854912
2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine
CID 62481027
N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]-2-methylsulfonylacetamide
CID 45138543
N-[3-[[4-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68566944

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 141350806) is 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(c1ncnc(Nc3ccccc3)n1)C2.
What is the InChIKey of 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is UPDRVEUZIRMATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c19-16-8-4-5-13-11-24(10-9-15(13)16)18-21-12-20-17(23-18)22-14-6-2-1-3-7-14/h1-8,12H,9-11,19H2,(H,20,21,22,23).
What are the key properties of 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 318.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 141350806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).