4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one

C10H15N3O2 — CID 114586545

IUPAC4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-2-8-12-9(14)5-10(13-8)15-7-3-6(11)4-7/h5-7H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyWRTQZCZUUSSYQZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.20
Rot. Bonds3

About 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one

4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114586545) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one
PubChem CID114586545
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-2-8-12-9(14)5-10(13-8)15-7-3-6(11)4-7/h5-7H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyWRTQZCZUUSSYQZ-UHFFFAOYSA-N
XLogP0.20
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one (CID 114586545) is 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OC2CC(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is WRTQZCZUUSSYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-8-12-9(14)5-10(13-8)15-7-3-6(11)4-7/h5-7H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)oxy-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).