4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one

C14H12N2O4 — CID 103241257

IUPAC4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc3c(c2)OCO3)nc(C2CC2)[nH]1
InChIInChI=1S/C14H12N2O4/c17-12-6-13(16-14(15-12)8-1-2-8)20-9-3-4-10-11(5-9)19-7-18-10/h3-6,8H,1-2,7H2,(H,15,16,17)
InChIKeyAIKCQZOBCZPVGF-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.17
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one

4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 103241257) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID103241257
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc3c(c2)OCO3)nc(C2CC2)[nH]1
InChIInChI=1S/C14H12N2O4/c17-12-6-13(16-14(15-12)8-1-2-8)20-9-3-4-10-11(5-9)19-7-18-10/h3-6,8H,1-2,7H2,(H,15,16,17)
InChIKeyAIKCQZOBCZPVGF-UHFFFAOYSA-N
XLogP2.17
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240890
2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241116
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242112
2-cyclopropyl-4-(2,3-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103241006
4-[2-(aminomethyl)-4-bromophenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114585999
4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one
CID 103241265
6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
CID 80882204
2-(1,3-benzodioxol-5-yloxy)-8-cyclohexyl-1-propyl-7H-purin-6-one
CID 67197951
N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]acetamide
CID 103241223
5-amino-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzonitrile
CID 114578692

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one (CID 103241257) is 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(Oc2ccc3c(c2)OCO3)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is AIKCQZOBCZPVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12-6-13(16-14(15-12)8-1-2-8)20-9-3-4-10-11(5-9)19-7-18-10/h3-6,8H,1-2,7H2,(H,15,16,17).
What are the key properties of 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 272.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).