2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C16H20N4O — CID 114524403

IUPAC2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)Oc1cncc(N2CCc3cccc(N)c3C2)n1
InChIInChI=1S/C16H20N4O/c1-11(2)21-16-9-18-8-15(19-16)20-7-6-12-4-3-5-14(17)13(12)10-20/h3-5,8-9,11H,6-7,10,17H2,1-2H3
InChIKeyMSRGCOFEKQNVNV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds3

About 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524403) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524403
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)Oc1cncc(N2CCc3cccc(N)c3C2)n1
InChIInChI=1S/C16H20N4O/c1-11(2)21-16-9-18-8-15(19-16)20-7-6-12-4-3-5-14(17)13(12)10-20/h3-5,8-9,11H,6-7,10,17H2,1-2H3
InChIKeyMSRGCOFEKQNVNV-UHFFFAOYSA-N
XLogP2.41
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501
2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine
CID 133485480
2-(3-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522186
5-(6-propan-2-yloxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213195
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine
CID 167897148
2,2-dimethyl-4-(6-propan-2-yloxypyrazin-2-yl)thiomorpholine
CID 133485855
(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane
CID 99622770
2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524381
2-(4-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524488
2-(5-nitro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 102771509

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524403) is 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is CC(C)Oc1cncc(N2CCc3cccc(N)c3C2)n1.
What is the InChIKey of 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is MSRGCOFEKQNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)21-16-9-18-8-15(19-16)20-7-6-12-4-3-5-14(17)13(12)10-20/h3-5,8-9,11H,6-7,10,17H2,1-2H3.
What are the key properties of 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 284.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).