[1]benzothiolo[3,2-d]pyrimidin-4-amine

C10H7N3S — CID 10104270

IUPAC[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1sc1ccccc12
InChIInChI=1S/C10H7N3S/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H,(H2,11,12,13)
InChIKeyUWAHPYYKKCDGEN-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.43
Rot. Bonds

About [1]benzothiolo[3,2-d]pyrimidin-4-amine

[1]benzothiolo[3,2-d]pyrimidin-4-amine (PubChem CID 10104270) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is [1]benzothiolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name[1]benzothiolo[3,2-d]pyrimidin-4-amine
PubChem CID10104270
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1sc1ccccc12
InChIInChI=1S/C10H7N3S/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H,(H2,11,12,13)
InChIKeyUWAHPYYKKCDGEN-UHFFFAOYSA-N
XLogP2.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of [1]benzothiolo[3,2-d]pyrimidin-4-amine (CID 10104270) is [1]benzothiolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for [1]benzothiolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for [1]benzothiolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2c1sc1ccccc12.
What is the InChIKey of [1]benzothiolo[3,2-d]pyrimidin-4-amine?
The InChIKey is UWAHPYYKKCDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H,(H2,11,12,13).
What are the key properties of [1]benzothiolo[3,2-d]pyrimidin-4-amine?
[1]benzothiolo[3,2-d]pyrimidin-4-amine has a molecular weight of 201.25 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10104270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).