2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one

C14H15N3O — CID 135420385

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H15N3O/c1-10-8-13(18)16-14(15-10)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H,15,16,18)
InChIKeyGVOCFAINBIGULA-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.64
Rot. Bonds1

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one

2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135420385) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135420385
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H15N3O/c1-10-8-13(18)16-14(15-10)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H,15,16,18)
InChIKeyGVOCFAINBIGULA-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 135420385) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GVOCFAINBIGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-8-13(18)16-14(15-10)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H,15,16,18).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135420385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).