4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione

C8H9N3S2 — CID 712738

IUPAC4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione
SMILESCc1sc2nc(=S)[nH]c(N)c2c1C
InChIInChI=1S/C8H9N3S2/c1-3-4(2)13-7-5(3)6(9)10-8(12)11-7/h1-2H3,(H3,9,10,11,12)
InChIKeyKCZSGPQKADVYRE-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.55
Rot. Bonds

About 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione

4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione (PubChem CID 712738) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione
PubChem CID712738
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione
SMILESCc1sc2nc(=S)[nH]c(N)c2c1C
InChIInChI=1S/C8H9N3S2/c1-3-4(2)13-7-5(3)6(9)10-8(12)11-7/h1-2H3,(H3,9,10,11,12)
InChIKeyKCZSGPQKADVYRE-UHFFFAOYSA-N
XLogP2.55
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.55
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-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione?
The IUPAC name of 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione (CID 712738) is 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione is Cc1sc2nc(=S)[nH]c(N)c2c1C.
What is the InChIKey of 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione?
The InChIKey is KCZSGPQKADVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-3-4(2)13-7-5(3)6(9)10-8(12)11-7/h1-2H3,(H3,9,10,11,12).
What are the key properties of 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione?
4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione has a molecular weight of 211.31 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 712738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).