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3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one

C19H23Cl2N3O — CID 158112369

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CCC(C)(C)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C19H23Cl2N3O/c1-12-17(23-10-8-19(3,4)9-11-23)22-13(2)24(18(12)25)15-7-5-6-14(20)16(15)21/h5-7H,8-11H2,1-4H3
InChIKeyGQPUSNSZOKAVBQ-UHFFFAOYSA-N
MW380.32 g/mol
LogP4.78
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one

3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one (PubChem CID 158112369) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
PubChem CID158112369
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC Name3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CCC(C)(C)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C19H23Cl2N3O/c1-12-17(23-10-8-19(3,4)9-11-23)22-13(2)24(18(12)25)15-7-5-6-14(20)16(15)21/h5-7H,8-11H2,1-4H3
InChIKeyGQPUSNSZOKAVBQ-UHFFFAOYSA-N
XLogP4.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one (CID 158112369) is 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one is Cc1c(N2CCC(C)(C)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one?
The InChIKey is GQPUSNSZOKAVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O/c1-12-17(23-10-8-19(3,4)9-11-23)22-13(2)24(18(12)25)15-7-5-6-14(20)16(15)21/h5-7H,8-11H2,1-4H3.
What are the key properties of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one?
3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one has a molecular weight of 380.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 158112369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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