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

C18H22Cl2N4O — CID 155165316

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CCC(C)(N)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C18H22Cl2N4O/c1-11-16(23-9-7-18(3,21)8-10-23)22-12(2)24(17(11)25)14-6-4-5-13(19)15(14)20/h4-6H,7-10,21H2,1-3H3
InChIKeyXDBCAZAOLOPYME-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.47
Rot. Bonds2

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

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one (PubChem CID 155165316) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
PubChem CID155165316
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CCC(C)(N)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C18H22Cl2N4O/c1-11-16(23-9-7-18(3,21)8-10-23)22-12(2)24(17(11)25)14-6-4-5-13(19)15(14)20/h4-6H,7-10,21H2,1-3H3
InChIKeyXDBCAZAOLOPYME-UHFFFAOYSA-N
XLogP3.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one (CID 155165316) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one is Cc1c(N2CCC(C)(N)CC2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
The InChIKey is XDBCAZAOLOPYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-11-16(23-9-7-18(3,21)8-10-23)22-12(2)24(17(11)25)14-6-4-5-13(19)15(14)20/h4-6H,7-10,21H2,1-3H3.
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one has a molecular weight of 381.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 155165316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).