6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione

C20H23N5O3S — CID 46608367

IUPAC6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(C)c(-n2ccnc2SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H23N5O3S/c1-11-6-7-12(2)14(10-11)25-9-8-22-19(25)29-13(3)16(26)15-17(21)23(4)20(28)24(5)18(15)27/h6-10,13H,21H2,1-5H3
InChIKeyINRQONFGDRZEJQ-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.83
Rot. Bonds5

About 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 46608367) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID46608367
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(C)c(-n2ccnc2SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H23N5O3S/c1-11-6-7-12(2)14(10-11)25-9-8-22-19(25)29-13(3)16(26)15-17(21)23(4)20(28)24(5)18(15)27/h6-10,13H,21H2,1-5H3
InChIKeyINRQONFGDRZEJQ-UHFFFAOYSA-N
XLogP1.83
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-1,3-dimethyl-5-[(2R)-2-pyrimidin-2-ylsulfanylpropanoyl]pyrimidine-2,4-dione
CID 40803849
6-amino-1,3-dimethyl-5-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]pyrimidine-2,4-dione
CID 42973814
(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 40675254
N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43027462
6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione
CID 42973460
6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27171786
6-amino-1,3-dimethyl-5-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione
CID 40918284
(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 7870866
methyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate
CID 55492079
6-amino-5-[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55562318
6-amino-5-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46815217
6-amino-1,3-dimethyl-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione
CID 42973447

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 46608367) is 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1ccc(C)c(-n2ccnc2SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is INRQONFGDRZEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-11-6-7-12(2)14(10-11)25-9-8-22-19(25)29-13(3)16(26)15-17(21)23(4)20(28)24(5)18(15)27/h6-10,13H,21H2,1-5H3.
What are the key properties of 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 413.50 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46608367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).