3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one

C12H19N3O2 — CID 104747711

IUPAC3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)C2CCOC2)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-5-12(16)15(9(2)14-8)6-11(13)10-3-4-17-7-10/h5,10-11H,3-4,6-7,13H2,1-2H3
InChIKeyWSEIJWWJIPJRSR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.22
Rot. Bonds3

About 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 104747711) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID104747711
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)C2CCOC2)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-5-12(16)15(9(2)14-8)6-11(13)10-3-4-17-7-10/h5,10-11H,3-4,6-7,13H2,1-2H3
InChIKeyWSEIJWWJIPJRSR-UHFFFAOYSA-N
XLogP0.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one (CID 104747711) is 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(N)C2CCOC2)c(C)n1.
What is the InChIKey of 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is WSEIJWWJIPJRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-5-12(16)15(9(2)14-8)6-11(13)10-3-4-17-7-10/h5,10-11H,3-4,6-7,13H2,1-2H3.
What are the key properties of 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).