2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C10H12N2S2 — CID 106481627

IUPAC2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCC1(c2nc(=S)c3c([nH]2)CSC3)CC1
InChIInChI=1S/C10H12N2S2/c1-10(2-3-10)9-11-7-5-14-4-6(7)8(13)12-9/h2-5H2,1H3,(H,11,12,13)
InChIKeyQUEHXZKHJVZIMP-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.94
Rot. Bonds1

About 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481627) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481627
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCC1(c2nc(=S)c3c([nH]2)CSC3)CC1
InChIInChI=1S/C10H12N2S2/c1-10(2-3-10)9-11-7-5-14-4-6(7)8(13)12-9/h2-5H2,1H3,(H,11,12,13)
InChIKeyQUEHXZKHJVZIMP-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481627) is 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CC1(c2nc(=S)c3c([nH]2)CSC3)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is QUEHXZKHJVZIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-10(2-3-10)9-11-7-5-14-4-6(7)8(13)12-9/h2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 224.35 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).