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

C9H12N2O2 — CID 116705562

IUPAC2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCC1
InChIInChI=1S/C9H12N2O2/c1-13-9(4-2-5-9)8-10-6-3-7(12)11-8/h3,6H,2,4-5H2,1H3,(H,10,11,12)
InChIKeyLVXHSVHHUKXVKW-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.80
Rot. Bonds2

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

2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 116705562) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID116705562
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCC1
InChIInChI=1S/C9H12N2O2/c1-13-9(4-2-5-9)8-10-6-3-7(12)11-8/h3,6H,2,4-5H2,1H3,(H,10,11,12)
InChIKeyLVXHSVHHUKXVKW-UHFFFAOYSA-N
XLogP0.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202604
2-(1-hydroxycyclobutyl)-1H-pyrimidin-6-one
CID 165398235
2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167116
2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80690677
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206260
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705561
2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 116705564
2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705566
2-(1-Methoxypropyl)pyrimidin-4-ol
CID 116705567
2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 116705568
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705569

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 116705562) is 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is COC1(c2nccc(=O)[nH]2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is LVXHSVHHUKXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-9(4-2-5-9)8-10-6-3-7(12)11-8/h3,6H,2,4-5H2,1H3,(H,10,11,12).
What are the key properties of 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).