4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one

C9H12N2O3 — CID 116705665

IUPAC4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCC1
InChIInChI=1S/C9H12N2O3/c1-14-9(3-2-4-9)8-10-6(12)5-7(13)11-8/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyYXHRTEOJCHDCCK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.50
Rot. Bonds2

About 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 116705665) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID116705665
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCC1
InChIInChI=1S/C9H12N2O3/c1-14-9(3-2-4-9)8-10-6(12)5-7(13)11-8/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyYXHRTEOJCHDCCK-UHFFFAOYSA-N
XLogP0.50
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 116705665) is 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is COC1(c2nc(O)cc(=O)[nH]2)CCC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is YXHRTEOJCHDCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-9(3-2-4-9)8-10-6(12)5-7(13)11-8/h5H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).