1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one

C16H16N4O — CID 43376166

IUPAC1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2ccc(N)c3cccnc23)c(=O)n1
InChIInChI=1S/C16H16N4O/c1-10-8-11(2)20(16(21)19-10)9-12-5-6-14(17)13-4-3-7-18-15(12)13/h3-8H,9,17H2,1-2H3
InChIKeyGJTBOGSDQURHJO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.04
Rot. Bonds2

About 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one

1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 43376166) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one
PubChem CID43376166
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2ccc(N)c3cccnc23)c(=O)n1
InChIInChI=1S/C16H16N4O/c1-10-8-11(2)20(16(21)19-10)9-12-5-6-14(17)13-4-3-7-18-15(12)13/h3-8H,9,17H2,1-2H3
InChIKeyGJTBOGSDQURHJO-UHFFFAOYSA-N
XLogP2.04
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one (CID 43376166) is 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(Cc2ccc(N)c3cccnc23)c(=O)n1.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is GJTBOGSDQURHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-8-11(2)20(16(21)19-10)9-12-5-6-14(17)13-4-3-7-18-15(12)13/h3-8H,9,17H2,1-2H3.
What are the key properties of 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one?
1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 43376166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).