5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride

C6H11ClN4OS — CID 18473538

IUPAC5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride
SMILESCCn1c(N)c(N)c(=O)[nH]c1=S.Cl
InChIInChI=1S/C6H10N4OS.ClH/c1-2-10-4(8)3(7)5(11)9-6(10)12;/h2,7-8H2,1H3,(H,9,11,12);1H
InChIKeyPKBDFAHCYUDCHE-UHFFFAOYSA-N
MW222.70 g/mol
LogP0.51
Rot. Bonds1

About 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride

5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride (PubChem CID 18473538) has the molecular formula C6H11ClN4OS and a molecular weight of 222.70 g/mol. Its IUPAC name is 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride
PubChem CID18473538
Molecular FormulaC6H11ClN4OS
Molecular Weight222.70 g/mol
Exact Mass222.03
IUPAC Name5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride
SMILESCCn1c(N)c(N)c(=O)[nH]c1=S.Cl
InChIInChI=1S/C6H10N4OS.ClH/c1-2-10-4(8)3(7)5(11)9-6(10)12;/h2,7-8H2,1H3,(H,9,11,12);1H
InChIKeyPKBDFAHCYUDCHE-UHFFFAOYSA-N
XLogP0.51
TPSA89.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride?
The IUPAC name of 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride (CID 18473538) is 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride?
The canonical SMILES for 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride is CCn1c(N)c(N)c(=O)[nH]c1=S.Cl.
What is the InChIKey of 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride?
The InChIKey is PKBDFAHCYUDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS.ClH/c1-2-10-4(8)3(7)5(11)9-6(10)12;/h2,7-8H2,1H3,(H,9,11,12);1H.
What are the key properties of 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride?
5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride has a molecular weight of 222.70 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-ethyl-2-sulfanylidenepyrimidin-4-one;hydrochloride is sourced from PubChem (CID 18473538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).