2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

C20H26N4 — CID 112894230

IUPAC2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCCC1CCCCN1c1nccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H26N4/c1-2-18-9-5-6-13-24(18)20-21-12-10-19(22-20)23-14-11-16-7-3-4-8-17(16)15-23/h3-4,7-8,10,12,18H,2,5-6,9,11,13-15H2,1H3
InChIKeyNFZOFGQUSAQPKT-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.81
Rot. Bonds3

About 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112894230) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID112894230
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCCC1CCCCN1c1nccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H26N4/c1-2-18-9-5-6-13-24(18)20-21-12-10-19(22-20)23-14-11-16-7-3-4-8-17(16)15-23/h3-4,7-8,10,12,18H,2,5-6,9,11,13-15H2,1H3
InChIKeyNFZOFGQUSAQPKT-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920326
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
CID 112900933
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 112894230) is 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is CCC1CCCCN1c1nccc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is NFZOFGQUSAQPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-18-9-5-6-13-24(18)20-21-12-10-19(22-20)23-14-11-16-7-3-4-8-17(16)15-23/h3-4,7-8,10,12,18H,2,5-6,9,11,13-15H2,1H3.
What are the key properties of 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 322.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112894230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).