formic acid;thieno[3,2-d]pyrimidin-4-amine

C7H7N3O2S — CID 175992852

IUPACformic acid;thieno[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccsc12.O=CO
InChIInChI=1S/C6H5N3S.CH2O2/c7-6-5-4(1-2-10-5)8-3-9-6;2-1-3/h1-3H,(H2,7,8,9);1H,(H,2,3)
InChIKeyCWMQKOZSIASMGR-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.97
Rot. Bonds

About formic acid;thieno[3,2-d]pyrimidin-4-amine

formic acid;thieno[3,2-d]pyrimidin-4-amine (PubChem CID 175992852) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is formic acid;thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameformic acid;thieno[3,2-d]pyrimidin-4-amine
PubChem CID175992852
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Nameformic acid;thieno[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccsc12.O=CO
InChIInChI=1S/C6H5N3S.CH2O2/c7-6-5-4(1-2-10-5)8-3-9-6;2-1-3/h1-3H,(H2,7,8,9);1H,(H,2,3)
InChIKeyCWMQKOZSIASMGR-UHFFFAOYSA-N
XLogP0.97
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of formic acid;thieno[3,2-d]pyrimidin-4-amine (CID 175992852) is formic acid;thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for formic acid;thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for formic acid;thieno[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccsc12.O=CO.
What is the InChIKey of formic acid;thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CWMQKOZSIASMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S.CH2O2/c7-6-5-4(1-2-10-5)8-3-9-6;2-1-3/h1-3H,(H2,7,8,9);1H,(H,2,3).
What are the key properties of formic acid;thieno[3,2-d]pyrimidin-4-amine?
formic acid;thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 197.22 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 175992852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).