6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione

C7H11N3O2S — CID 63964773

IUPAC6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
SMILESCSCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2S/c1-13-3-2-10-5(8)4-6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12)
InChIKeyADKHUGXOZQPMNS-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.52
Rot. Bonds3

About 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione

6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione (PubChem CID 63964773) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
PubChem CID63964773
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
SMILESCSCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2S/c1-13-3-2-10-5(8)4-6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12)
InChIKeyADKHUGXOZQPMNS-UHFFFAOYSA-N
XLogP-0.52
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione (CID 63964773) is 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione is CSCCn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
The InChIKey is ADKHUGXOZQPMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-13-3-2-10-5(8)4-6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12).
What are the key properties of 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione has a molecular weight of 201.25 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63964773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).