5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione

C9H15N3O4S — CID 63799404

IUPAC5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C9H15N3O4S/c1-3-11-6-7(10)8(13)12(9(11)14)4-5-17(2,15)16/h6H,3-5,10H2,1-2H3
InChIKeyFPKRYDODTDYXCB-UHFFFAOYSA-N
MW261.30 g/mol
LogP-1.34
Rot. Bonds4

About 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione

5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione (PubChem CID 63799404) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
PubChem CID63799404
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C9H15N3O4S/c1-3-11-6-7(10)8(13)12(9(11)14)4-5-17(2,15)16/h6H,3-5,10H2,1-2H3
InChIKeyFPKRYDODTDYXCB-UHFFFAOYSA-N
XLogP-1.34
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione (CID 63799404) is 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CCS(C)(=O)=O)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
The InChIKey is FPKRYDODTDYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-11-6-7(10)8(13)12(9(11)14)4-5-17(2,15)16/h6H,3-5,10H2,1-2H3.
What are the key properties of 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione has a molecular weight of 261.30 g/mol, XLogP of -1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63799404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).