5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one

C7H9N3O3 — CID 103242081

IUPAC5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2COC2)nc[nH]c1=O
InChIInChI=1S/C7H9N3O3/c8-5-6(11)9-3-10-7(5)13-4-1-12-2-4/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeyRQQVALXEJRHXEP-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.87
Rot. Bonds2

About 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one

5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 103242081) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID103242081
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2COC2)nc[nH]c1=O
InChIInChI=1S/C7H9N3O3/c8-5-6(11)9-3-10-7(5)13-4-1-12-2-4/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeyRQQVALXEJRHXEP-UHFFFAOYSA-N
XLogP-0.87
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-(oxetan-3-yloxy)-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

Related Compounds

5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
CID 102607197
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240661
5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240699
5-amino-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 103240753
5-amino-4-butoxy-1H-pyrimidin-6-one
CID 103240826
5-amino-4-butan-2-yloxy-1H-pyrimidin-6-one
CID 103240850
5-amino-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 103240863

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one (CID 103242081) is 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one is Nc1c(OC2COC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is RQQVALXEJRHXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-5-6(11)9-3-10-7(5)13-4-1-12-2-4/h3-4H,1-2,8H2,(H,9,10,11).
What are the key properties of 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 183.17 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103242081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).