5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione

C5H7N3O2S — CID 165346496

IUPAC5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione
SMILESCSc1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C5H7N3O2S/c1-11-4-2(6)3(9)7-5(10)8-4/h6H2,1H3,(H2,7,8,9,10)
InChIKeyAUXDGNSINHBXOI-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.63
Rot. Bonds1

About 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione

5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 165346496) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione
PubChem CID165346496
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione
SMILESCSc1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C5H7N3O2S/c1-11-4-2(6)3(9)7-5(10)8-4/h6H2,1H3,(H2,7,8,9,10)
InChIKeyAUXDGNSINHBXOI-UHFFFAOYSA-N
XLogP-0.63
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione (CID 165346496) is 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione is CSc1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is AUXDGNSINHBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-11-4-2(6)3(9)7-5(10)8-4/h6H2,1H3,(H2,7,8,9,10).
What are the key properties of 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione?
5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 173.20 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methylsulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165346496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).