6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one

C12H15ClN2O2 — CID 114582305

IUPAC6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCOC2(CCC2)C1
InChIInChI=1S/C12H15ClN2O2/c13-10-6-11(16)15(8-14-10)9-2-5-17-12(7-9)3-1-4-12/h6,8-9H,1-5,7H2
InChIKeyRMKGBZGDEOSHKF-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.17
Rot. Bonds1

About 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one

6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one (PubChem CID 114582305) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one
PubChem CID114582305
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCOC2(CCC2)C1
InChIInChI=1S/C12H15ClN2O2/c13-10-6-11(16)15(8-14-10)9-2-5-17-12(7-9)3-1-4-12/h6,8-9H,1-5,7H2
InChIKeyRMKGBZGDEOSHKF-UHFFFAOYSA-N
XLogP2.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one (CID 114582305) is 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one is O=c1cc(Cl)ncn1C1CCOC2(CCC2)C1.
What is the InChIKey of 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one?
The InChIKey is RMKGBZGDEOSHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-6-11(16)15(8-14-10)9-2-5-17-12(7-9)3-1-4-12/h6,8-9H,1-5,7H2.
What are the key properties of 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one?
6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one has a molecular weight of 254.72 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one is sourced from PubChem (CID 114582305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).