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

C11H19N3O2S — CID 113473562

IUPAC5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione
SMILESCCSCCCn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C11H19N3O2S/c1-3-13-8-9(12)10(15)14(11(13)16)6-5-7-17-4-2/h8H,3-7,12H2,1-2H3
InChIKeyYFPCNPSHAPYDLU-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.76
Rot. Bonds6

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

5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione (PubChem CID 113473562) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione
PubChem CID113473562
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione
SMILESCCSCCCn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C11H19N3O2S/c1-3-13-8-9(12)10(15)14(11(13)16)6-5-7-17-4-2/h8H,3-7,12H2,1-2H3
InChIKeyYFPCNPSHAPYDLU-UHFFFAOYSA-N
XLogP0.76
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione (CID 113473562) is 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione is CCSCCCn1c(=O)c(N)cn(CC)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione?
The InChIKey is YFPCNPSHAPYDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-13-8-9(12)10(15)14(11(13)16)6-5-7-17-4-2/h8H,3-7,12H2,1-2H3.
What are the key properties of 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione?
5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione has a molecular weight of 257.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 113473562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).