6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione

C8H14N4O4S — CID 54935174

IUPAC6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O4S/c1-12-6(9)5(7(13)11-8(12)14)10-3-4-17(2,15)16/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChIKeyZQMHYFUHMFHNBL-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.89
Rot. Bonds4

About 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione (PubChem CID 54935174) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
PubChem CID54935174
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O4S/c1-12-6(9)5(7(13)11-8(12)14)10-3-4-17(2,15)16/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChIKeyZQMHYFUHMFHNBL-UHFFFAOYSA-N
XLogP-1.89
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione (CID 54935174) is 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione is Cn1c(N)c(NCCS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
The InChIKey is ZQMHYFUHMFHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-12-6(9)5(7(13)11-8(12)14)10-3-4-17(2,15)16/h10H,3-4,9H2,1-2H3,(H,11,13,14).
What are the key properties of 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione has a molecular weight of 262.29 g/mol, XLogP of -1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54935174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).