2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one

C16H15N3O — CID 136770406

IUPAC2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc3ccncc23)c(C)c(=O)[nH]1
InChIInChI=1S/C16H15N3O/c1-3-14-18-15(10(2)16(20)19-14)12-6-4-5-11-7-8-17-9-13(11)12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyFUNGQMPOKWWIKR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.86
Rot. Bonds2

About 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one

2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770406) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one
PubChem CID136770406
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc3ccncc23)c(C)c(=O)[nH]1
InChIInChI=1S/C16H15N3O/c1-3-14-18-15(10(2)16(20)19-14)12-6-4-5-11-7-8-17-9-13(11)12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyFUNGQMPOKWWIKR-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
CID 146014962
4-methyl-2-(quinolin-8-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135496702
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
6-oxo-N-(2-phenylpropan-2-yl)-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 57878370
3-(2-Methyl-3-(trifluoromethyl)benzyl)-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 71271965
2-(3-phenylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494240
(E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
CID 162352561
(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
CID 164626291
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide
CID 67974248
N-(7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl)acetamide
CID 67974795

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one (CID 136770406) is 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2cccc3ccncc23)c(C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is FUNGQMPOKWWIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-14-18-15(10(2)16(20)19-14)12-6-4-5-11-7-8-17-9-13(11)12/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one?
2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 265.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-isoquinolin-8-yl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).