6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine

C14H12N4S — CID 81143436

IUPAC6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C14H12N4S/c15-13-6-11(8-1-2-8)17-14(18-13)9-5-12-10(16-7-9)3-4-19-12/h3-8H,1-2H2,(H2,15,17,18)
InChIKeyVHUVLNGBIGLADR-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.21
Rot. Bonds2

About 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine

6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (PubChem CID 81143436) has the molecular formula C14H12N4S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
PubChem CID81143436
Molecular FormulaC14H12N4S
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Name6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C14H12N4S/c15-13-6-11(8-1-2-8)17-14(18-13)9-5-12-10(16-7-9)3-4-19-12/h3-8H,1-2H2,(H2,15,17,18)
InChIKeyVHUVLNGBIGLADR-UHFFFAOYSA-N
XLogP3.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (CID 81143436) is 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is Nc1cc(C2CC2)nc(-c2cnc3ccsc3c2)n1.
What is the InChIKey of 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The InChIKey is VHUVLNGBIGLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-13-6-11(8-1-2-8)17-14(18-13)9-5-12-10(16-7-9)3-4-19-12/h3-8H,1-2H2,(H2,15,17,18).
What are the key properties of 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine has a molecular weight of 268.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 81143436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).