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

C16H19N3O — CID 118447852

IUPAC2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccnc(N2CCc3cc(OC)ccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-3-14-6-8-17-16(18-14)19-9-7-12-10-15(20-2)5-4-13(12)11-19/h4-6,8,10H,3,7,9,11H2,1-2H3
InChIKeyLNDREOCDWOIMKP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.61
Rot. Bonds3

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

2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 118447852) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
PubChem CID118447852
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccnc(N2CCc3cc(OC)ccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-3-14-6-8-17-16(18-14)19-9-7-12-10-15(20-2)5-4-13(12)11-19/h4-6,8,10H,3,7,9,11H2,1-2H3
InChIKeyLNDREOCDWOIMKP-UHFFFAOYSA-N
XLogP2.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394769
N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147636008
methyl 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]acetate
CID 167882627
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 112894395
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894334
7-ethyl-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133273541
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline (CID 118447852) is 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline is CCc1ccnc(N2CCc3cc(OC)ccc3C2)n1.
What is the InChIKey of 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is LNDREOCDWOIMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-14-6-8-17-16(18-14)19-9-7-12-10-15(20-2)5-4-13(12)11-19/h4-6,8,10H,3,7,9,11H2,1-2H3.
What are the key properties of 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 269.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 118447852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).