4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one

C13H18N2O2 — CID 106207973

IUPAC4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O2/c16-11-8-12(15-13(14-11)10-4-5-10)17-7-6-9-2-1-3-9/h8-10H,1-7H2,(H,14,15,16)
InChIKeyLMLDZTBJYLMHNZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds5

About 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one

4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 106207973) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID106207973
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O2/c16-11-8-12(15-13(14-11)10-4-5-10)17-7-6-9-2-1-3-9/h8-10H,1-7H2,(H,14,15,16)
InChIKeyLMLDZTBJYLMHNZ-UHFFFAOYSA-N
XLogP2.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471
2-ethyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240475
2-ethyl-4-hexoxy-1H-pyrimidin-6-one
CID 103240496
4-hexoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240500
2-cyclopropyl-4-octoxy-1H-pyrimidin-6-one
CID 103240502
4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240509
2-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one (CID 106207973) is 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(OCCC2CCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is LMLDZTBJYLMHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-8-12(15-13(14-11)10-4-5-10)17-7-6-9-2-1-3-9/h8-10H,1-7H2,(H,14,15,16).
What are the key properties of 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 106207973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).