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

C11H17N3O2 — CID 114586547

IUPAC4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-6(2)11-13-9(15)5-10(14-11)16-8-3-7(12)4-8/h5-8H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyLODIDLXRFSAXJV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.76
Rot. Bonds3

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

4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586547) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586547
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-6(2)11-13-9(15)5-10(14-11)16-8-3-7(12)4-8/h5-8H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyLODIDLXRFSAXJV-UHFFFAOYSA-N
XLogP0.76
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.76
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-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586547) is 4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CC(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LODIDLXRFSAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)11-13-9(15)5-10(14-11)16-8-3-7(12)4-8/h5-8H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.76, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).