4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one

C11H17N3O3 — CID 136957247

IUPAC4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]c(C)n2)CCOC1
InChIInChI=1S/C11H17N3O3/c1-8-13-9(5-10(15)14-8)12-6-11(16-2)3-4-17-7-11/h5H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyHALNHYIWYUPIPU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.30
Rot. Bonds4

About 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957247) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957247
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]c(C)n2)CCOC1
InChIInChI=1S/C11H17N3O3/c1-8-13-9(5-10(15)14-8)12-6-11(16-2)3-4-17-7-11/h5H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyHALNHYIWYUPIPU-UHFFFAOYSA-N
XLogP0.30
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136957247) is 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one is COC1(CNc2cc(=O)[nH]c(C)n2)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HALNHYIWYUPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-13-9(5-10(15)14-8)12-6-11(16-2)3-4-17-7-11/h5H,3-4,6-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).