2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

C23H26N4O — CID 112920489

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2OC(C)C)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H26N4O/c1-16(2)28-21-11-7-6-10-20(21)25-22-14-17(3)24-23(26-22)27-13-12-18-8-4-5-9-19(18)15-27/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,25,26)
InChIKeyLWUKRSZVEMCFRT-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.88
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 112920489) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID112920489
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2OC(C)C)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H26N4O/c1-16(2)28-21-11-7-6-10-20(21)25-22-14-17(3)24-23(26-22)27-13-12-18-8-4-5-9-19(18)15-27/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,25,26)
InChIKeyLWUKRSZVEMCFRT-UHFFFAOYSA-N
XLogP4.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-amine
CID 112920523
[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
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 112953176
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112920508
N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910270
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909578
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 112920489) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccccc2OC(C)C)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is LWUKRSZVEMCFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)28-21-11-7-6-10-20(21)25-22-14-17(3)24-23(26-22)27-13-12-18-8-4-5-9-19(18)15-27/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,25,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.88, 5 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)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112920489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).