2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C8H10N2S — CID 7541200

IUPAC2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C8H10N2S/c1-5-9-7-4-2-3-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyGXQMNTDEPAOBRK-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.94
Rot. Bonds

About 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 7541200) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID7541200
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C8H10N2S/c1-5-9-7-4-2-3-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyGXQMNTDEPAOBRK-UHFFFAOYSA-N
XLogP1.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.94
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 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 7541200) is 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is Cc1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is GXQMNTDEPAOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-5-9-7-4-2-3-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 166.25 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 7541200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).