thieno[2,3-d]pyrimidin-4-amine

C6H5N3S — CID 4269486

IUPACthieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sccc12
InChIInChI=1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
InChIKeyDYTQGJLVGDSCLF-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.27
Rot. Bonds

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

thieno[2,3-d]pyrimidin-4-amine (PubChem CID 4269486) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Namethieno[2,3-d]pyrimidin-4-amine
PubChem CID4269486
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Namethieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sccc12
InChIInChI=1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
InChIKeyDYTQGJLVGDSCLF-UHFFFAOYSA-N
XLogP1.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of thieno[2,3-d]pyrimidin-4-amine (CID 4269486) is thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for thieno[2,3-d]pyrimidin-4-amine is Nc1ncnc2sccc12.
What is the InChIKey of thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DYTQGJLVGDSCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9).
What are the key properties of thieno[2,3-d]pyrimidin-4-amine?
thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 151.19 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).