3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one

C20H23Cl2N3O2 — CID 146372547

IUPAC3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1c(N2CCC3(CCOC3)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C20H23Cl2N3O2/c1-13-18(24-9-6-20(7-10-24)8-11-27-12-20)23-14(2)25(19(13)26)16-5-3-4-15(21)17(16)22/h3-5H,6-12H2,1-2H3
InChIKeyMWGSDQRDMDHIJW-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.16
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one

3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (PubChem CID 146372547) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
PubChem CID146372547
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1c(N2CCC3(CCOC3)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C20H23Cl2N3O2/c1-13-18(24-9-6-20(7-10-24)8-11-27-12-20)23-14(2)25(19(13)26)16-5-3-4-15(21)17(16)22/h3-5H,6-12H2,1-2H3
InChIKeyMWGSDQRDMDHIJW-UHFFFAOYSA-N
XLogP4.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (CID 146372547) is 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is Cc1c(N2CCC3(CCOC3)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The InChIKey is MWGSDQRDMDHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-13-18(24-9-6-20(7-10-24)8-11-27-12-20)23-14(2)25(19(13)26)16-5-3-4-15(21)17(16)22/h3-5H,6-12H2,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one has a molecular weight of 408.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is sourced from PubChem (CID 146372547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).