5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine

C15H18N4O2 — CID 80651956

IUPAC5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
SMILESCOc1cc2c(cc1OC)CN(c1cnc(N)cn1)CC2
InChIInChI=1S/C15H18N4O2/c1-20-12-5-10-3-4-19(9-11(10)6-13(12)21-2)15-8-17-14(16)7-18-15/h5-8H,3-4,9H2,1-2H3,(H2,16,17)
InChIKeyKWHSZHAGHNUTJD-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.64
Rot. Bonds3

About 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine

5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine (PubChem CID 80651956) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
PubChem CID80651956
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
SMILESCOc1cc2c(cc1OC)CN(c1cnc(N)cn1)CC2
InChIInChI=1S/C15H18N4O2/c1-20-12-5-10-3-4-19(9-11(10)6-13(12)21-2)15-8-17-14(16)7-18-15/h5-8H,3-4,9H2,1-2H3,(H2,16,17)
InChIKeyKWHSZHAGHNUTJD-UHFFFAOYSA-N
XLogP1.64
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 14625302
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine
CID 18765188
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
CID 103436503
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 24694849
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341073
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpyrimidin-2-amine
CID 112899186
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine (CID 80651956) is 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine is COc1cc2c(cc1OC)CN(c1cnc(N)cn1)CC2.
What is the InChIKey of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
The InChIKey is KWHSZHAGHNUTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-20-12-5-10-3-4-19(9-11(10)6-13(12)21-2)15-8-17-14(16)7-18-15/h5-8H,3-4,9H2,1-2H3,(H2,16,17).
What are the key properties of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine?
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine is sourced from PubChem (CID 80651956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).