6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione

C20H24N4O3S — CID 142276470

IUPAC6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(Nc2cc(=O)n(CCSCc3cc(C)on3)c(=O)[nH]2)cc1C
InChIInChI=1S/C20H24N4O3S/c1-4-15-5-6-16(9-13(15)2)21-18-11-19(25)24(20(26)22-18)7-8-28-12-17-10-14(3)27-23-17/h5-6,9-11,21H,4,7-8,12H2,1-3H3,(H,22,26)
InChIKeyWEVQWEHSIPESSH-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.38
Rot. Bonds8

About 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione

6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 142276470) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID142276470
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(Nc2cc(=O)n(CCSCc3cc(C)on3)c(=O)[nH]2)cc1C
InChIInChI=1S/C20H24N4O3S/c1-4-15-5-6-16(9-13(15)2)21-18-11-19(25)24(20(26)22-18)7-8-28-12-17-10-14(3)27-23-17/h5-6,9-11,21H,4,7-8,12H2,1-3H3,(H,22,26)
InChIKeyWEVQWEHSIPESSH-UHFFFAOYSA-N
XLogP3.38
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione (CID 142276470) is 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione is CCc1ccc(Nc2cc(=O)n(CCSCc3cc(C)on3)c(=O)[nH]2)cc1C.
What is the InChIKey of 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WEVQWEHSIPESSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-4-15-5-6-16(9-13(15)2)21-18-11-19(25)24(20(26)22-18)7-8-28-12-17-10-14(3)27-23-17/h5-6,9-11,21H,4,7-8,12H2,1-3H3,(H,22,26).
What are the key properties of 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione?
6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 400.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3-methylanilino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142276470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).