2-amino-4-ethoxy-1H-pyrimidin-6-one

C6H9N3O2 — CID 587657

IUPAC2-amino-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H9N3O2/c1-2-11-5-3-4(10)8-6(7)9-5/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKeyNVDWYIQHHIQUCK-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.25
Rot. Bonds2

About 2-amino-4-ethoxy-1H-pyrimidin-6-one

2-amino-4-ethoxy-1H-pyrimidin-6-one (PubChem CID 587657) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-4-ethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-ethoxy-1H-pyrimidin-6-one
PubChem CID587657
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-amino-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H9N3O2/c1-2-11-5-3-4(10)8-6(7)9-5/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKeyNVDWYIQHHIQUCK-UHFFFAOYSA-N
XLogP-0.25
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-ethoxy-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 2-amino-4-ethoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-ethoxy-1H-pyrimidin-6-one (CID 587657) is 2-amino-4-ethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-ethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-ethoxy-1H-pyrimidin-6-one is CCOc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-ethoxy-1H-pyrimidin-6-one?
The InChIKey is NVDWYIQHHIQUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-11-5-3-4(10)8-6(7)9-5/h3H,2H2,1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-4-ethoxy-1H-pyrimidin-6-one?
2-amino-4-ethoxy-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 587657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).