5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione

C21H28N4O3 — CID 53299297

IUPAC5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cc(C)c(CN2CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)c(C)c1
InChIInChI=1S/C21H28N4O3/c1-14-9-15(2)18(16(3)10-14)12-23-5-7-24(8-6-23)19(26)13-25-11-17(4)20(27)22-21(25)28/h9-11H,5-8,12-13H2,1-4H3,(H,22,27,28)
InChIKeyQUGNUNVGYARMNB-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.11
Rot. Bonds4

About 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 53299297) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
PubChem CID53299297
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cc(C)c(CN2CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)c(C)c1
InChIInChI=1S/C21H28N4O3/c1-14-9-15(2)18(16(3)10-14)12-23-5-7-24(8-6-23)19(26)13-25-11-17(4)20(27)22-21(25)28/h9-11H,5-8,12-13H2,1-4H3,(H,22,27,28)
InChIKeyQUGNUNVGYARMNB-UHFFFAOYSA-N
XLogP1.11
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 52916311
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one
CID 48558797
methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
CID 48558731
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 139598835
5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 72872280
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
1-[2-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 91796498
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione
CID 170510152
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione (CID 53299297) is 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione is Cc1cc(C)c(CN2CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)c(C)c1.
What is the InChIKey of 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is QUGNUNVGYARMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14-9-15(2)18(16(3)10-14)12-23-5-7-24(8-6-23)19(26)13-25-11-17(4)20(27)22-21(25)28/h9-11H,5-8,12-13H2,1-4H3,(H,22,27,28).
What are the key properties of 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 384.48 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 53299297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).