5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

C20H28N4O2 — CID 67373850

IUPAC5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1ccc(N2CCN(CCCCn3cc(C)c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C20H28N4O2/c1-16-5-7-18(8-6-16)23-13-11-22(12-14-23)9-3-4-10-24-15-17(2)19(25)21-20(24)26/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25,26)
InChIKeyDNHDKWQXSVKHKR-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.76
Rot. Bonds6

About 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione

5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (PubChem CID 67373850) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
PubChem CID67373850
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
SMILESCc1ccc(N2CCN(CCCCn3cc(C)c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C20H28N4O2/c1-16-5-7-18(8-6-16)23-13-11-22(12-14-23)9-3-4-10-24-15-17(2)19(25)21-20(24)26/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25,26)
InChIKeyDNHDKWQXSVKHKR-UHFFFAOYSA-N
XLogP1.76
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67374237
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 67375779
1-[4-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 67373956
1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 66737897
3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 13320378
2,4-dioxo-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidine-5-carbonitrile
CID 47058721
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
5-methyl-1-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 66737977
5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione
CID 143550834
ethane;5-methyl-1-[3-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]propyl]pyrimidine-2,4-dione
CID 143550833
1-[4-[4-[1-(1,3-dioxol-4-yl)-2-phenylethyl]piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 66737819
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312056

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione (CID 67373850) is 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is Cc1ccc(N2CCN(CCCCn3cc(C)c(=O)[nH]c3=O)CC2)cc1.
What is the InChIKey of 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
The InChIKey is DNHDKWQXSVKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16-5-7-18(8-6-16)23-13-11-22(12-14-23)9-3-4-10-24-15-17(2)19(25)21-20(24)26/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25,26).
What are the key properties of 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione?
5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione has a molecular weight of 356.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 67373850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).