2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline

C15H17N3O — CID 133343956

IUPAC2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccnc(N2CCc3ccccc3C2C)n1
InChIInChI=1S/C15H17N3O/c1-11-13-6-4-3-5-12(13)8-10-18(11)15-16-9-7-14(17-15)19-2/h3-7,9,11H,8,10H2,1-2H3
InChIKeyIPVXQTDMXMWFHG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.61
Rot. Bonds2

About 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline

2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 133343956) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID133343956
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccnc(N2CCc3ccccc3C2C)n1
InChIInChI=1S/C15H17N3O/c1-11-13-6-4-3-5-12(13)8-10-18(11)15-16-9-7-14(17-15)19-2/h3-7,9,11H,8,10H2,1-2H3
InChIKeyIPVXQTDMXMWFHG-UHFFFAOYSA-N
XLogP2.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(2-methylpiperazin-1-yl)pyrimidine
CID 62672840
1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962
6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrido[2,3-b]pyrazine
CID 133343862
1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 153364917
[1-(4-methoxypyrimidin-2-yl)-6-methylpiperidin-3-yl]methanamine
CID 62586902
N,5,6-trimethyl-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyrimidin-4-amine
CID 54451589
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
7-(4-methoxypyrimidin-2-yl)-1,7-diazabicyclo[4.3.1]decane
CID 167867544
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133333373

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline (CID 133343956) is 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline is COc1ccnc(N2CCc3ccccc3C2C)n1.
What is the InChIKey of 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is IPVXQTDMXMWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-13-6-4-3-5-12(13)8-10-18(11)15-16-9-7-14(17-15)19-2/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline?
2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 255.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133343956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).