6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one

C14H19ClN2O2 — CID 114582128

IUPAC6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H19ClN2O2/c15-12-8-13(18)17(10-16-12)11-4-7-19-14(9-11)5-2-1-3-6-14/h8,10-11H,1-7,9H2
InChIKeyMOYAFKNNFKLXKE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.95
Rot. Bonds1

About 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one

6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one (PubChem CID 114582128) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
PubChem CID114582128
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H19ClN2O2/c15-12-8-13(18)17(10-16-12)11-4-7-19-14(9-11)5-2-1-3-6-14/h8,10-11H,1-7,9H2
InChIKeyMOYAFKNNFKLXKE-UHFFFAOYSA-N
XLogP2.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-methyl-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one
CID 113604174
6-Chloro-2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604186
6-Chloro-3-(2,6-dioxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604209
6-Chloro-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 113604218
6-Chloro-3-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604235
5-Bromo-6-chloro-3-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604410
6-Chloro-5-iodo-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one
CID 113604457
6-Chloro-5-iodo-3-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604468
6-Chloro-3-[4-(oxan-4-yl)butyl]pyrimidin-4-one
CID 114192358
6-Chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114581701
6-Chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpyrimidin-4-one
CID 114581703
6-Chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582130

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one (CID 114582128) is 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one is O=c1cc(Cl)ncn1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The InChIKey is MOYAFKNNFKLXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-8-13(18)17(10-16-12)11-4-7-19-14(9-11)5-2-1-3-6-14/h8,10-11H,1-7,9H2.
What are the key properties of 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one has a molecular weight of 282.77 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one is sourced from PubChem (CID 114582128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).