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

C11H19N3O4S — CID 65093490

IUPAC5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCCS(=O)(=O)CC)c1=O
InChIInChI=1S/C11H19N3O4S/c1-3-13-8-9(12)10(15)14(11(13)16)6-5-7-19(17,18)4-2/h8H,3-7,12H2,1-2H3
InChIKeyORPHSXWXPOWQGO-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.56
Rot. Bonds6

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

5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione (PubChem CID 65093490) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
PubChem CID65093490
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCCS(=O)(=O)CC)c1=O
InChIInChI=1S/C11H19N3O4S/c1-3-13-8-9(12)10(15)14(11(13)16)6-5-7-19(17,18)4-2/h8H,3-7,12H2,1-2H3
InChIKeyORPHSXWXPOWQGO-UHFFFAOYSA-N
XLogP-0.56
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.56
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-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione (CID 65093490) is 5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CCCS(=O)(=O)CC)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
The InChIKey is ORPHSXWXPOWQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-13-8-9(12)10(15)14(11(13)16)6-5-7-19(17,18)4-2/h8H,3-7,12H2,1-2H3.
What are the key properties of 5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione has a molecular weight of 289.36 g/mol, XLogP of -0.56, 6 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-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 65093490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).