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

C11H15N3O2 — CID 114586546

IUPAC4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CC(Oc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C11H15N3O2/c12-7-3-8(4-7)16-10-5-9(15)13-11(14-10)6-1-2-6/h5-8H,1-4,12H2,(H,13,14,15)
InChIKeySWXVITVRCIZVBD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.52
Rot. Bonds3

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

4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586546) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586546
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CC(Oc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C11H15N3O2/c12-7-3-8(4-7)16-10-5-9(15)13-11(14-10)6-1-2-6/h5-8H,1-4,12H2,(H,13,14,15)
InChIKeySWXVITVRCIZVBD-UHFFFAOYSA-N
XLogP0.52
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.52
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-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586546) is 4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one is NC1CC(Oc2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is SWXVITVRCIZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-7-3-8(4-7)16-10-5-9(15)13-11(14-10)6-1-2-6/h5-8H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.52, 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-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).