2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline

C16H19N3O — CID 56819735

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(c1cc(C)nc(C)n1)CC2
InChIInChI=1S/C16H19N3O/c1-11-8-16(18-12(2)17-11)19-7-6-13-4-5-15(20-3)9-14(13)10-19/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyARWJYHZTNOGFIO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.66
Rot. Bonds2

About 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline

2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 56819735) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline
PubChem CID56819735
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(c1cc(C)nc(C)n1)CC2
InChIInChI=1S/C16H19N3O/c1-11-8-16(18-12(2)17-11)19-7-6-13-4-5-15(20-3)9-14(13)10-19/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyARWJYHZTNOGFIO-UHFFFAOYSA-N
XLogP2.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1,2,4-thiadiazole
CID 71998078
7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133298817
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872901
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
2-(1H-benzimidazol-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 133409843
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dimethyl-1,3-benzothiazole
CID 121083646
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 5303878
6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 21416702
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
N-tert-butyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-2-amine
CID 112924589

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline (CID 56819735) is 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(c1cc(C)nc(C)n1)CC2.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is ARWJYHZTNOGFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-8-16(18-12(2)17-11)19-7-6-13-4-5-15(20-3)9-14(13)10-19/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 269.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 56819735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).