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

C23H26N4 — CID 112918985

IUPACN-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H26N4/c1-3-26(16-19-9-5-4-6-10-19)23-24-18(2)15-22(25-23)27-14-13-20-11-7-8-12-21(20)17-27/h4-12,15H,3,13-14,16-17H2,1-2H3
InChIKeyQARKLPKREDLOHL-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.37
Rot. Bonds5

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

N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 112918985) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID112918985
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H26N4/c1-3-26(16-19-9-5-4-6-10-19)23-24-18(2)15-22(25-23)27-14-13-20-11-7-8-12-21(20)17-27/h4-12,15H,3,13-14,16-17H2,1-2H3
InChIKeyQARKLPKREDLOHL-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112909449
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329545
2-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920326
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80767534
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 112909262
2-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920315
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpyrimidin-2-amine
CID 112894232
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 112910704
N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine (CID 112918985) is N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine is CCN(Cc1ccccc1)c1nc(C)cc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is QARKLPKREDLOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-3-26(16-19-9-5-4-6-10-19)23-24-18(2)15-22(25-23)27-14-13-20-11-7-8-12-21(20)17-27/h4-12,15H,3,13-14,16-17H2,1-2H3.
What are the key properties of N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine?
N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 358.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112918985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).