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

C23H26N4 — CID 112937475

IUPACN-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccccc2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H26N4/c1-23(2,3)26-21-15-20(18-10-5-4-6-11-18)24-22(25-21)27-14-13-17-9-7-8-12-19(17)16-27/h4-12,15H,13-14,16H2,1-3H3,(H,24,25,26)
InChIKeyRAVOWLNUQGNOQR-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.92
Rot. Bonds3

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

N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112937475) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine
PubChem CID112937475
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccccc2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H26N4/c1-23(2,3)26-21-15-20(18-10-5-4-6-11-18)24-22(25-21)27-14-13-17-9-7-8-12-19(17)16-27/h4-12,15H,13-14,16H2,1-3H3,(H,24,25,26)
InChIKeyRAVOWLNUQGNOQR-UHFFFAOYSA-N
XLogP4.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112953258
N-tert-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873827
2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112936358
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 46507574
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112920457
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
CID 112879207
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine (CID 112937475) is N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine is CC(C)(C)Nc1cc(-c2ccccc2)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is RAVOWLNUQGNOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-23(2,3)26-21-15-20(18-10-5-4-6-11-18)24-22(25-21)27-14-13-17-9-7-8-12-19(17)16-27/h4-12,15H,13-14,16H2,1-3H3,(H,24,25,26).
What are the key properties of N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine?
N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 358.49 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112937475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).