4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

C8H11N3OS — CID 136726596

IUPAC4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCSC2)nc[nH]1
InChIInChI=1S/C8H11N3OS/c12-8-3-7(9-5-10-8)11-6-1-2-13-4-6/h3,5-6H,1-2,4H2,(H2,9,10,11,12)
InChIKeyFRJGLRDCFHZCSZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.69
Rot. Bonds2

About 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136726596) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136726596
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCSC2)nc[nH]1
InChIInChI=1S/C8H11N3OS/c12-8-3-7(9-5-10-8)11-6-1-2-13-4-6/h3,5-6H,1-2,4H2,(H2,9,10,11,12)
InChIKeyFRJGLRDCFHZCSZ-UHFFFAOYSA-N
XLogP0.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (CID 136726596) is 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is O=c1cc(NC2CCSC2)nc[nH]1.
What is the InChIKey of 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is FRJGLRDCFHZCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c12-8-3-7(9-5-10-8)11-6-1-2-13-4-6/h3,5-6H,1-2,4H2,(H2,9,10,11,12).
What are the key properties of 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
4-(thiolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 197.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).