5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione

C20H27N5O3 — CID 46324246

IUPAC5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H27N5O3/c1-14-17(19(27)23(5)20(28)22(14)4)24-9-11-25(12-10-24)18(26)15-7-6-8-16(13-15)21(2)3/h6-8,13H,9-12H2,1-5H3
InChIKeyBOTFFNCDTOPCDS-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.42
Rot. Bonds3

About 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione

5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 46324246) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID46324246
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H27N5O3/c1-14-17(19(27)23(5)20(28)22(14)4)24-9-11-25(12-10-24)18(26)15-7-6-8-16(13-15)21(2)3/h6-8,13H,9-12H2,1-5H3
InChIKeyBOTFFNCDTOPCDS-UHFFFAOYSA-N
XLogP0.42
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 20932958
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110804228
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110814766
1-[4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807298
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 27829290
[3-(dimethylamino)phenyl]-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339501
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110741465
5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324289

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione (CID 46324246) is 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione is Cc1c(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is BOTFFNCDTOPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-17(19(27)23(5)20(28)22(14)4)24-9-11-25(12-10-24)18(26)15-7-6-8-16(13-15)21(2)3/h6-8,13H,9-12H2,1-5H3.
What are the key properties of 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 385.47 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46324246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).