5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione

C8H11N3O2S — CID 115114621

IUPAC5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione
SMILESNc1cn(C2CCCS2)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2S/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3,9H2,(H,10,12,13)
InChIKeyZVCIVELCSJRKSZ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.14
Rot. Bonds1

About 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione

5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione (PubChem CID 115114621) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione
PubChem CID115114621
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione
SMILESNc1cn(C2CCCS2)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2S/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3,9H2,(H,10,12,13)
InChIKeyZVCIVELCSJRKSZ-UHFFFAOYSA-N
XLogP0.14
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione (CID 115114621) is 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione is Nc1cn(C2CCCS2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is ZVCIVELCSJRKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3,9H2,(H,10,12,13).
What are the key properties of 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione?
5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 213.26 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 115114621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).