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

C19H20Cl3N3O2 — CID 146373936

IUPAC5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1nc(N2CCC3(CCOC3)CC2)c(Cl)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl3N3O2/c1-12-23-17(24-8-5-19(6-9-24)7-10-27-11-19)16(22)18(26)25(12)14-4-2-3-13(20)15(14)21/h2-4H,5-11H2,1H3
InChIKeyKYYQPUVSNAKKMN-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.51
Rot. Bonds2

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

5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (PubChem CID 146373936) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
PubChem CID146373936
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1nc(N2CCC3(CCOC3)CC2)c(Cl)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl3N3O2/c1-12-23-17(24-8-5-19(6-9-24)7-10-27-11-19)16(22)18(26)25(12)14-4-2-3-13(20)15(14)21/h2-4H,5-11H2,1H3
InChIKeyKYYQPUVSNAKKMN-UHFFFAOYSA-N
XLogP4.51
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The IUPAC name of 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (CID 146373936) is 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.
What is the SMILES notation for 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The canonical SMILES for 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is Cc1nc(N2CCC3(CCOC3)CC2)c(Cl)c(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The InChIKey is KYYQPUVSNAKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O2/c1-12-23-17(24-8-5-19(6-9-24)7-10-27-11-19)16(22)18(26)25(12)14-4-2-3-13(20)15(14)21/h2-4H,5-11H2,1H3.
What are the key properties of 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one has a molecular weight of 428.75 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,3-dichlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is sourced from PubChem (CID 146373936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).