2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one

C16H15N3O — CID 136596865

IUPAC2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCc2cccc3cnccc23)n1
InChIInChI=1S/C16H15N3O/c1-11-9-16(20)19-15(18-11)6-5-12-3-2-4-13-10-17-8-7-14(12)13/h2-4,7-10H,5-6H2,1H3,(H,18,19,20)
InChIKeyMAOMPZXVBLQFLR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one

2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136596865) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136596865
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCc2cccc3cnccc23)n1
InChIInChI=1S/C16H15N3O/c1-11-9-16(20)19-15(18-11)6-5-12-3-2-4-13-10-17-8-7-14(12)13/h2-4,7-10H,5-6H2,1H3,(H,18,19,20)
InChIKeyMAOMPZXVBLQFLR-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425
3-isoquinolin-5-ylpropanamide
CID 82578287
2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135418993
N-(3-isoquinolin-5-ylpropyl)thiohydroxylamine
CID 87755236
N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
CID 131936529
2-isoquinolin-5-ylacetamide
CID 68785768
6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
CID 167020685
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
4-methyl-2-(6-oxoheptyl)-1H-pyrimidin-6-one
CID 137098515
4-isoquinolin-8-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770401
N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
CID 155966917

Frequently Asked Questions

What is the IUPAC name of 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one (CID 136596865) is 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCc2cccc3cnccc23)n1.
What is the InChIKey of 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MAOMPZXVBLQFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-9-16(20)19-15(18-11)6-5-12-3-2-4-13-10-17-8-7-14(12)13/h2-4,7-10H,5-6H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 265.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isoquinolin-5-ylethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136596865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).