6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C26H26N6O2 — CID 1283419

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C26H26N6O2/c1-33-22-11-7-20(8-12-22)27-24-29-25(28-21-9-13-23(34-2)14-10-21)31-26(30-24)32-16-15-18-5-3-4-6-19(18)17-32/h3-14H,15-17H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyJFKVCSXHUVJNNL-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.94
Rot. Bonds7

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1283419) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1283419
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C26H26N6O2/c1-33-22-11-7-20(8-12-22)27-24-29-25(28-21-9-13-23(34-2)14-10-21)31-26(30-24)32-16-15-18-5-3-4-6-19(18)17-32/h3-14H,15-17H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyJFKVCSXHUVJNNL-UHFFFAOYSA-N
XLogP4.94
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109259793
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 112894274
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine
CID 21476467
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 112920435
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 112894395
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80751354
5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 4054775
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 1283419) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCc4ccccc4C3)n2)cc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JFKVCSXHUVJNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-33-22-11-7-20(8-12-22)27-24-29-25(28-21-9-13-23(34-2)14-10-21)31-26(30-24)32-16-15-18-5-3-4-6-19(18)17-32/h3-14H,15-17H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 454.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1283419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).