6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one

C9H13N3OS — CID 19614622

IUPAC6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1C1CCCC1
InChIInChI=1S/C9H13N3OS/c10-7-5-8(13)11-9(14)12(7)6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,13,14)
InChIKeyBNMFFKSMNKMBTL-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.60
Rot. Bonds1

About 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one

6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 19614622) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one
PubChem CID19614622
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one
SMILESNc1cc(=O)[nH]c(=S)n1C1CCCC1
InChIInChI=1S/C9H13N3OS/c10-7-5-8(13)11-9(14)12(7)6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,13,14)
InChIKeyBNMFFKSMNKMBTL-UHFFFAOYSA-N
XLogP1.60
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one (CID 19614622) is 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one is Nc1cc(=O)[nH]c(=S)n1C1CCCC1.
What is the InChIKey of 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is BNMFFKSMNKMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-7-5-8(13)11-9(14)12(7)6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,13,14).
What are the key properties of 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one?
6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 211.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 19614622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).