5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione

C7H11N3O2S — CID 142859623

IUPAC5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCSc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C7H11N3O2S/c1-3-13-5-4(8)6(11)10(2)7(12)9-5/h3,8H2,1-2H3,(H,9,12)
InChIKeyZVPFBRNPKCDDRK-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.23
Rot. Bonds2

About 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione

5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 142859623) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID142859623
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCSc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C7H11N3O2S/c1-3-13-5-4(8)6(11)10(2)7(12)9-5/h3,8H2,1-2H3,(H,9,12)
InChIKeyZVPFBRNPKCDDRK-UHFFFAOYSA-N
XLogP-0.23
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione (CID 142859623) is 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione is CCSc1[nH]c(=O)n(C)c(=O)c1N.
What is the InChIKey of 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZVPFBRNPKCDDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-13-5-4(8)6(11)10(2)7(12)9-5/h3,8H2,1-2H3,(H,9,12).
What are the key properties of 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione?
5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 201.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethylsulfanyl-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142859623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).