2H-pyrrolo[1,2-a]pyrimidine-6-thione

C7H6N2S — CID 141197078

IUPAC2H-pyrrolo[1,2-a]pyrimidine-6-thione
SMILESS=C1C=CC2=NCC=CN12
InChIInChI=1S/C7H6N2S/c10-7-3-2-6-8-4-1-5-9(6)7/h1-3,5H,4H2
InChIKeyPIXBYIISIGPONT-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.11
Rot. Bonds

About 2H-pyrrolo[1,2-a]pyrimidine-6-thione

2H-pyrrolo[1,2-a]pyrimidine-6-thione (PubChem CID 141197078) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2H-pyrrolo[1,2-a]pyrimidine-6-thione.

Molecular Properties

Compound Name2H-pyrrolo[1,2-a]pyrimidine-6-thione
PubChem CID141197078
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2H-pyrrolo[1,2-a]pyrimidine-6-thione
SMILESS=C1C=CC2=NCC=CN12
InChIInChI=1S/C7H6N2S/c10-7-3-2-6-8-4-1-5-9(6)7/h1-3,5H,4H2
InChIKeyPIXBYIISIGPONT-UHFFFAOYSA-N
XLogP1.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Sulfenylimidazo[1,2-a]pyridine
CID 129832323
Thioxoimidazo[1,2-a]pyridine
CID 167530405
2,3-Dimethylpyrimidine-4-thione
CID 20678886
Pyrido[1,2-a]pyrimidine-4-thione
CID 56619255
4,6-Dihydropyrrolo[1,2-a]pyrimidine
CID 118369229

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[1,2-a]pyrimidine-6-thione?
The IUPAC name of 2H-pyrrolo[1,2-a]pyrimidine-6-thione (CID 141197078) is 2H-pyrrolo[1,2-a]pyrimidine-6-thione.
What is the SMILES notation for 2H-pyrrolo[1,2-a]pyrimidine-6-thione?
The canonical SMILES for 2H-pyrrolo[1,2-a]pyrimidine-6-thione is S=C1C=CC2=NCC=CN12.
What is the InChIKey of 2H-pyrrolo[1,2-a]pyrimidine-6-thione?
The InChIKey is PIXBYIISIGPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c10-7-3-2-6-8-4-1-5-9(6)7/h1-3,5H,4H2.
What are the key properties of 2H-pyrrolo[1,2-a]pyrimidine-6-thione?
2H-pyrrolo[1,2-a]pyrimidine-6-thione has a molecular weight of 150.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[1,2-a]pyrimidine-6-thione is sourced from PubChem (CID 141197078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).