2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine

C23H26N4O2 — CID 112920435

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(C)nc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-15-22(24-12-14-29-21-9-7-20(28-2)8-10-21)26-23(25-17)27-13-11-18-5-3-4-6-19(18)16-27/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26)
InChIKeyOVDJLICJPQTMTO-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.85
Rot. Bonds7

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 112920435) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
PubChem CID112920435
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(C)nc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-15-22(24-12-14-29-21-9-7-20(28-2)8-10-21)26-23(25-17)27-13-11-18-5-3-4-6-19(18)16-27/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26)
InChIKeyOVDJLICJPQTMTO-UHFFFAOYSA-N
XLogP3.85
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912289
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 46507574
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112920457
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872901
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894334
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-amine
CID 112920523
3-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazin-5-amine
CID 112958669

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine (CID 112920435) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine is COc1ccc(OCCNc2cc(C)nc(N3CCc4ccccc4C3)n2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is OVDJLICJPQTMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-15-22(24-12-14-29-21-9-7-20(28-2)8-10-21)26-23(25-17)27-13-11-18-5-3-4-6-19(18)16-27/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112920435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).