4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one

C8H13N3O3 — CID 22647864

IUPAC4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one
SMILESCOCCOn1cc(C)c(N)nc1=O
InChIInChI=1S/C8H13N3O3/c1-6-5-11(14-4-3-13-2)8(12)10-7(6)9/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyFBUFSPIZFFBOCS-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.79
Rot. Bonds4

About 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one

4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one (PubChem CID 22647864) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one
PubChem CID22647864
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one
SMILESCOCCOn1cc(C)c(N)nc1=O
InChIInChI=1S/C8H13N3O3/c1-6-5-11(14-4-3-13-2)8(12)10-7(6)9/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyFBUFSPIZFFBOCS-UHFFFAOYSA-N
XLogP-0.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one (CID 22647864) is 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one is COCCOn1cc(C)c(N)nc1=O.
What is the InChIKey of 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one?
The InChIKey is FBUFSPIZFFBOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6-5-11(14-4-3-13-2)8(12)10-7(6)9/h5H,3-4H2,1-2H3,(H2,9,10,12).
What are the key properties of 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one?
4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one has a molecular weight of 199.21 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one is sourced from PubChem (CID 22647864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).