4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C18H23N5 — CID 82583111

IUPAC4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNCc2cccc(N3CCN(c4ncccn4)CC3)c21
InChIInChI=1S/C18H23N5/c1-14-12-19-13-15-4-2-5-16(17(14)15)22-8-10-23(11-9-22)18-20-6-3-7-21-18/h2-7,14,19H,8-13H2,1H3
InChIKeyLDUXMJNNBHBKOH-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.01
Rot. Bonds2

About 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82583111) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82583111
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNCc2cccc(N3CCN(c4ncccn4)CC3)c21
InChIInChI=1S/C18H23N5/c1-14-12-19-13-15-4-2-5-16(17(14)15)22-8-10-23(11-9-22)18-20-6-3-7-21-18/h2-7,14,19H,8-13H2,1H3
InChIKeyLDUXMJNNBHBKOH-UHFFFAOYSA-N
XLogP2.01
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
CID 82583105
4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 82583621
(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86311748
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
CID 171070316
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
N-methyl-N-[[(3R)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398708
2-[4-[2-(bromomethyl)-3-chlorophenyl]piperazin-1-yl]pyrimidine
CID 107079284

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 82583111) is 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CC1CNCc2cccc(N3CCN(c4ncccn4)CC3)c21.
What is the InChIKey of 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LDUXMJNNBHBKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14-12-19-13-15-4-2-5-16(17(14)15)22-8-10-23(11-9-22)18-20-6-3-7-21-18/h2-7,14,19H,8-13H2,1H3.
What are the key properties of 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 309.42 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82583111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).