2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine

C21H29N5 — CID 71564225

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCC2CCNCC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C21H29N5/c1-2-19-13-20(23-14-16-7-10-22-11-8-16)25-21(24-19)26-12-9-17-5-3-4-6-18(17)15-26/h3-6,13,16,22H,2,7-12,14-15H2,1H3,(H,23,24,25)
InChIKeyCPQJCYCAFXBHPU-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.01
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 71564225) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
PubChem CID71564225
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCC2CCNCC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C21H29N5/c1-2-19-13-20(23-14-16-7-10-22-11-8-16)25-21(24-19)26-12-9-17-5-3-4-6-18(17)15-26/h3-6,13,16,22H,2,7-12,14-15H2,1H3,(H,23,24,25)
InChIKeyCPQJCYCAFXBHPU-UHFFFAOYSA-N
XLogP3.01
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71564248
6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 56768131
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627
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
2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 56768213
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
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)-6-methylpyrimidin-4-yl]hydrazine
CID 46507574
6-(methoxymethyl)-2-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 94076559
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 112920435
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine (CID 71564225) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine is CCc1cc(NCC2CCNCC2)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is CPQJCYCAFXBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-2-19-13-20(23-14-16-7-10-22-11-8-16)25-21(24-19)26-12-9-17-5-3-4-6-18(17)15-26/h3-6,13,16,22H,2,7-12,14-15H2,1H3,(H,23,24,25).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 351.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 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-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 71564225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).