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

C7H9N3S2 — CID 83871381

IUPAC4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione
SMILESCNc1nc(=S)[nH]c2c1CSC2
InChIInChI=1S/C7H9N3S2/c1-8-6-4-2-12-3-5(4)9-7(11)10-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyWYWPKJBINXYBBF-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.93
Rot. Bonds1

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

4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione (PubChem CID 83871381) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione
PubChem CID83871381
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Name4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione
SMILESCNc1nc(=S)[nH]c2c1CSC2
InChIInChI=1S/C7H9N3S2/c1-8-6-4-2-12-3-5(4)9-7(11)10-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyWYWPKJBINXYBBF-UHFFFAOYSA-N
XLogP1.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione?
The IUPAC name of 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione (CID 83871381) is 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione.
What is the SMILES notation for 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione?
The canonical SMILES for 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione is CNc1nc(=S)[nH]c2c1CSC2.
What is the InChIKey of 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione?
The InChIKey is WYWPKJBINXYBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-8-6-4-2-12-3-5(4)9-7(11)10-6/h2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione?
4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione has a molecular weight of 199.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2-thione is sourced from PubChem (CID 83871381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).