2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine

C22H24N4O — CID 112934865

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
SMILESCOCCNc1cc(-c2ccccc2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C22H24N4O/c1-27-14-12-23-21-15-20(18-8-3-2-4-9-18)24-22(25-21)26-13-11-17-7-5-6-10-19(17)16-26/h2-10,15H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyHBMLYWVPWRCIQZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.76
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine (PubChem CID 112934865) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
PubChem CID112934865
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
SMILESCOCCNc1cc(-c2ccccc2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C22H24N4O/c1-27-14-12-23-21-15-20(18-8-3-2-4-9-18)24-22(25-21)26-13-11-17-7-5-6-10-19(17)16-26/h2-10,15H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyHBMLYWVPWRCIQZ-UHFFFAOYSA-N
XLogP3.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine
CID 112937475
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 112920435
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112936358
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
CID 112879207
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-4-amine
CID 112935236
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine (CID 112934865) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine is COCCNc1cc(-c2ccccc2)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine?
The InChIKey is HBMLYWVPWRCIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-14-12-23-21-15-20(18-8-3-2-4-9-18)24-22(25-21)26-13-11-17-7-5-6-10-19(17)16-26/h2-10,15H,11-14,16H2,1H3,(H,23,24,25).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112934865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).