2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline

C17H21N3O — CID 133394769

IUPAC2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc2c(c1)CCN(c1nccc(C)n1)C2
InChIInChI=1S/C17H21N3O/c1-3-10-21-16-5-4-15-12-20(9-7-14(15)11-16)17-18-8-6-13(2)19-17/h4-6,8,11H,3,7,9-10,12H2,1-2H3
InChIKeyPIKKLILVEKUJIY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline

2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 133394769) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
PubChem CID133394769
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc2c(c1)CCN(c1nccc(C)n1)C2
InChIInChI=1S/C17H21N3O/c1-3-10-21-16-5-4-15-12-20(9-7-14(15)11-16)17-18-8-6-13(2)19-17/h4-6,8,11H,3,7,9-10,12H2,1-2H3
InChIKeyPIKKLILVEKUJIY-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-thiadiazole
CID 133394788
6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 133394692
2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394749
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
2-(4-methyl-5-nitro-2-pyridinyl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394734
N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 127038978
2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133394633
5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133394689
2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 86814768
2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline
CID 133469063
3-nitro-2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 133394722
2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
CID 120993189

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline (CID 133394769) is 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline is CCCOc1ccc2c(c1)CCN(c1nccc(C)n1)C2.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is PIKKLILVEKUJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-10-21-16-5-4-15-12-20(9-7-14(15)11-16)17-18-8-6-13(2)19-17/h4-6,8,11H,3,7,9-10,12H2,1-2H3.
What are the key properties of 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 283.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133394769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).