2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

C22H24N4O2 — CID 133290746

IUPAC2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1nc(-c3ccccn3)nc(C)c1C)CC2
InChIInChI=1S/C22H24N4O2/c1-14-15(2)24-21(18-7-5-6-9-23-18)25-22(14)26-10-8-16-11-19(27-3)20(28-4)12-17(16)13-26/h5-7,9,11-12H,8,10,13H2,1-4H3
InChIKeyCKQBOLYLPZWZBQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds4

About 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 133290746) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID133290746
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1nc(-c3ccccn3)nc(C)c1C)CC2
InChIInChI=1S/C22H24N4O2/c1-14-15(2)24-21(18-7-5-6-9-23-18)25-22(14)26-10-8-16-11-19(27-3)20(28-4)12-17(16)13-26/h5-7,9,11-12H,8,10,13H2,1-4H3
InChIKeyCKQBOLYLPZWZBQ-UHFFFAOYSA-N
XLogP3.74
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133294526
6,7-dimethoxy-2-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 99709158
6-(3-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121455953
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 144743909
4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133316063
5-methoxy-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 1470848
6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline
CID 155823248
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56564094
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
1-benzyl-4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 56585223
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 52906595
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CID 133290746) is 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(c1nc(-c3ccccn3)nc(C)c1C)CC2.
What is the InChIKey of 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is CKQBOLYLPZWZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-15(2)24-21(18-7-5-6-9-23-18)25-22(14)26-10-8-16-11-19(27-3)20(28-4)12-17(16)13-26/h5-7,9,11-12H,8,10,13H2,1-4H3.
What are the key properties of 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 376.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133290746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).