N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine

C33H38N6O4 — CID 19436853

IUPACN-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1cc2c(cc1OC)CN(c1nc(N(C)Cc3ccccc3)nc(N3CCc4cc(OC)c(OC)cc4C3)n1)CC2
InChIInChI=1S/C33H38N6O4/c1-37(19-22-9-7-6-8-10-22)31-34-32(38-13-11-23-15-27(40-2)29(42-4)17-25(23)20-38)36-33(35-31)39-14-12-24-16-28(41-3)30(43-5)18-26(24)21-39/h6-10,15-18H,11-14,19-21H2,1-5H3
InChIKeyBPBZZHOMHILRPO-UHFFFAOYSA-N
MW582.71 g/mol
LogP4.67
Rot. Bonds9

About N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine

N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 19436853) has the molecular formula C33H38N6O4 and a molecular weight of 582.71 g/mol. Its IUPAC name is N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID19436853
Molecular FormulaC33H38N6O4
Molecular Weight582.71 g/mol
Exact Mass582.30
IUPAC NameN-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1cc2c(cc1OC)CN(c1nc(N(C)Cc3ccccc3)nc(N3CCc4cc(OC)c(OC)cc4C3)n1)CC2
InChIInChI=1S/C33H38N6O4/c1-37(19-22-9-7-6-8-10-22)31-34-32(38-13-11-23-15-27(40-2)29(42-4)17-25(23)20-38)36-33(35-31)39-14-12-24-16-28(41-3)30(43-5)18-26(24)21-39/h6-10,15-18H,11-14,19-21H2,1-5H3
InChIKeyBPBZZHOMHILRPO-UHFFFAOYSA-N
XLogP4.67
TPSA85.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.71
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpyrimidin-2-amine
CID 112899186
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine
CID 6407605
(2S)-2-[benzyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)amino]-3-phenylpropanal
CID 87976529
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 112890988
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
CID 109022905
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-3-oxopropanamide
CID 108947316
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112924619
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 141421893
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine (CID 19436853) is N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine is COc1cc2c(cc1OC)CN(c1nc(N(C)Cc3ccccc3)nc(N3CCc4cc(OC)c(OC)cc4C3)n1)CC2.
What is the InChIKey of N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is BPBZZHOMHILRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O4/c1-37(19-22-9-7-6-8-10-22)31-34-32(38-13-11-23-15-27(40-2)29(42-4)17-25(23)20-38)36-33(35-31)39-14-12-24-16-28(41-3)30(43-5)18-26(24)21-39/h6-10,15-18H,11-14,19-21H2,1-5H3.
What are the key properties of N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine?
N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 582.71 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19436853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).