6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine

C19H20N6 — CID 939226

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H20N6/c20-18-22-17(23-19(24-18)21-16-8-2-1-3-9-16)13-25-11-10-14-6-4-5-7-15(14)12-25/h1-9H,10-13H2,(H3,20,21,22,23,24)
InChIKeyGONUUGSZCSXHGE-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.76
Rot. Bonds4

About 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 939226) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID939226
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H20N6/c20-18-22-17(23-19(24-18)21-16-8-2-1-3-9-16)13-25-11-10-14-6-4-5-7-15(14)12-25/h1-9H,10-13H2,(H3,20,21,22,23,24)
InChIKeyGONUUGSZCSXHGE-UHFFFAOYSA-N
XLogP2.76
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Revaprazan
CID 204104
Revaprazan Hydrochloride
CID 204103
N-(3-chloro-2-methylphenyl)-6-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-1,3,5-triazine-2,4-diamine
CID 1286476
2-N-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 666466
4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine
CID 1500644
4-[(4-benzyl-1-piperazinyl)methyl]-6-(3,4-dihydro-1(2H)-quinolinyl)-1,3,5-triazin-2-amine
CID 1853629
N2-(3,4-Dimethylphenyl)-6-((4-(p-tolyl)piperazin-1-yl)methyl)-1,3,5-triazine-2,4-diamine
CID 122473367
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 666042
6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 666635
4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine
CID 666929
6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine
CID 667006
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazin-2-amine
CID 667032

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 939226) is 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GONUUGSZCSXHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c20-18-22-17(23-19(24-18)21-16-8-2-1-3-9-16)13-25-11-10-14-6-4-5-7-15(14)12-25/h1-9H,10-13H2,(H3,20,21,22,23,24).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 332.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 939226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).