6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione

C10H12N2S — CID 130620027

IUPAC6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione
SMILESCc1c(C2=CCCC2)[nH]cnc1=S
InChIInChI=1S/C10H12N2S/c1-7-9(8-4-2-3-5-8)11-6-12-10(7)13/h4,6H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyQKRZTUOYUHQOFJ-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.01
Rot. Bonds1

About 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione

6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione (PubChem CID 130620027) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione
PubChem CID130620027
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione
SMILESCc1c(C2=CCCC2)[nH]cnc1=S
InChIInChI=1S/C10H12N2S/c1-7-9(8-4-2-3-5-8)11-6-12-10(7)13/h4,6H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyQKRZTUOYUHQOFJ-UHFFFAOYSA-N
XLogP3.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione (CID 130620027) is 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione is Cc1c(C2=CCCC2)[nH]cnc1=S.
What is the InChIKey of 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is QKRZTUOYUHQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-9(8-4-2-3-5-8)11-6-12-10(7)13/h4,6H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione?
6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 192.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 130620027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).