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

C15H10N4S — CID 66551165

IUPAC7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1sc1cc(-c3ccncc3)ccc12
InChIInChI=1S/C15H10N4S/c16-15-14-13(18-8-19-15)11-2-1-10(7-12(11)20-14)9-3-5-17-6-4-9/h1-8H,(H2,16,18,19)
InChIKeyFMCSVWYLYHUFEL-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.49
Rot. Bonds1

About 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine

7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine (PubChem CID 66551165) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
PubChem CID66551165
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1sc1cc(-c3ccncc3)ccc12
InChIInChI=1S/C15H10N4S/c16-15-14-13(18-8-19-15)11-2-1-10(7-12(11)20-14)9-3-5-17-6-4-9/h1-8H,(H2,16,18,19)
InChIKeyFMCSVWYLYHUFEL-UHFFFAOYSA-N
XLogP3.49
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine (CID 66551165) is 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2c1sc1cc(-c3ccncc3)ccc12.
What is the InChIKey of 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The InChIKey is FMCSVWYLYHUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c16-15-14-13(18-8-19-15)11-2-1-10(7-12(11)20-14)9-3-5-17-6-4-9/h1-8H,(H2,16,18,19).
What are the key properties of 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine has a molecular weight of 278.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 66551165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).