3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione

C26H22N4O3S — CID 21074014

IUPAC3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione
SMILESCc1c(SCc2nnc(-c3cccc4ccccc34)o2)n(C)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H22N4O3S/c1-17-24(31)30(15-18-9-4-3-5-10-18)26(32)29(2)25(17)34-16-22-27-28-23(33-22)21-14-8-12-19-11-6-7-13-20(19)21/h3-14H,15-16H2,1-2H3
InChIKeyFZGXEGSPBOUJEJ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.40
Rot. Bonds6

About 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione

3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione (PubChem CID 21074014) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione
PubChem CID21074014
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC Name3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione
SMILESCc1c(SCc2nnc(-c3cccc4ccccc34)o2)n(C)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H22N4O3S/c1-17-24(31)30(15-18-9-4-3-5-10-18)26(32)29(2)25(17)34-16-22-27-28-23(33-22)21-14-8-12-19-11-6-7-13-20(19)21/h3-14H,15-16H2,1-2H3
InChIKeyFZGXEGSPBOUJEJ-UHFFFAOYSA-N
XLogP4.40
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

3-benzyl-1,5-dimethyl-6-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidine-2,4-dione
CID 21074013
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
2-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 2650682
2-(2-methylphenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656440
3-[(2-chlorophenyl)methyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 38827455
3-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 38833466
3-(3-methylbutyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 38833095
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 38827055
4-benzyl-3-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole
CID 7988898
1-benzyl-3,7-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 153298149
N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262
2-(2-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2623215

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione (CID 21074014) is 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione is Cc1c(SCc2nnc(-c3cccc4ccccc34)o2)n(C)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione?
The InChIKey is FZGXEGSPBOUJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-17-24(31)30(15-18-9-4-3-5-10-18)26(32)29(2)25(17)34-16-22-27-28-23(33-22)21-14-8-12-19-11-6-7-13-20(19)21/h3-14H,15-16H2,1-2H3.
What are the key properties of 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione?
3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione has a molecular weight of 470.55 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,5-dimethyl-6-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-2,4-dione is sourced from PubChem (CID 21074014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).