5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one

C8H11N3O2 — CID 119054238

IUPAC5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c9-6-7(12)10-4-11-8(6)13-5-2-1-3-5/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyYECCYCZORHMXJH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.28
Rot. Bonds2

About 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one

5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one (PubChem CID 119054238) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one
PubChem CID119054238
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c9-6-7(12)10-4-11-8(6)13-5-2-1-3-5/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyYECCYCZORHMXJH-UHFFFAOYSA-N
XLogP0.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one (CID 119054238) is 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one is Nc1c(OC2CCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one?
The InChIKey is YECCYCZORHMXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-6-7(12)10-4-11-8(6)13-5-2-1-3-5/h4-5H,1-3,9H2,(H,10,11,12).
What are the key properties of 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one?
5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclobutyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 119054238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).