3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one

C11H19N3O — CID 65255580

IUPAC3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one
SMILESCC(C)(CN)CCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-11(2,8-12)5-3-7-14-9-13-6-4-10(14)15/h4,6,9H,3,5,7-8,12H2,1-2H3
InChIKeyROIJSILOWQRACU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.01
Rot. Bonds5

About 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one

3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one (PubChem CID 65255580) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one
PubChem CID65255580
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one
SMILESCC(C)(CN)CCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-11(2,8-12)5-3-7-14-9-13-6-4-10(14)15/h4,6,9H,3,5,7-8,12H2,1-2H3
InChIKeyROIJSILOWQRACU-UHFFFAOYSA-N
XLogP1.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one?
The IUPAC name of 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one (CID 65255580) is 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one.
What is the SMILES notation for 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one?
The canonical SMILES for 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one is CC(C)(CN)CCCn1cnccc1=O.
What is the InChIKey of 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one?
The InChIKey is ROIJSILOWQRACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,8-12)5-3-7-14-9-13-6-4-10(14)15/h4,6,9H,3,5,7-8,12H2,1-2H3.
What are the key properties of 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one?
3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one is sourced from PubChem (CID 65255580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).