5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

C27H33N5O3 — CID 46324289

IUPAC5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(C(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1
InChIInChI=1S/C27H33N5O3/c1-5-29(6-2)22-14-12-21(13-15-22)25(33)31-18-16-30(17-19-31)24-20(3)32(23-10-8-7-9-11-23)27(35)28(4)26(24)34/h7-15H,5-6,16-19H2,1-4H3
InChIKeyCGIHITKSXWYNKR-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.65
Rot. Bonds6

About 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (PubChem CID 46324289) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
PubChem CID46324289
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(C(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1
InChIInChI=1S/C27H33N5O3/c1-5-29(6-2)22-14-12-21(13-15-22)25(33)31-18-16-30(17-19-31)24-20(3)32(23-10-8-7-9-11-23)27(35)28(4)26(24)34/h7-15H,5-6,16-19H2,1-4H3
InChIKeyCGIHITKSXWYNKR-UHFFFAOYSA-N
XLogP2.65
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione with MolForge

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Related Compounds

3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione
CID 46324313
5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324292
5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46324246
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
3,6-dimethyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrimidine-2,4-dione
CID 20933006
N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781728
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113078827
(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078848
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione
CID 50781754

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (CID 46324289) is 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is CCN(CC)c1ccc(C(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1.
What is the InChIKey of 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The InChIKey is CGIHITKSXWYNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-5-29(6-2)22-14-12-21(13-15-22)25(33)31-18-16-30(17-19-31)24-20(3)32(23-10-8-7-9-11-23)27(35)28(4)26(24)34/h7-15H,5-6,16-19H2,1-4H3.
What are the key properties of 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 475.59 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 46324289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).