N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine

C11H12N4S — CID 126848907

IUPACN-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine
SMILESc1nc(NC2CNC2)cc(-c2ccsc2)n1
InChIInChI=1S/C11H12N4S/c1-2-16-6-8(1)10-3-11(14-7-13-10)15-9-4-12-5-9/h1-3,6-7,9,12H,4-5H2,(H,13,14,15)
InChIKeyHQRXUJVDOQOTQX-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.59
Rot. Bonds3

About N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine

N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine (PubChem CID 126848907) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine
PubChem CID126848907
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine
SMILESc1nc(NC2CNC2)cc(-c2ccsc2)n1
InChIInChI=1S/C11H12N4S/c1-2-16-6-8(1)10-3-11(14-7-13-10)15-9-4-12-5-9/h1-3,6-7,9,12H,4-5H2,(H,13,14,15)
InChIKeyHQRXUJVDOQOTQX-UHFFFAOYSA-N
XLogP1.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine (CID 126848907) is N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine is c1nc(NC2CNC2)cc(-c2ccsc2)n1.
What is the InChIKey of N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is HQRXUJVDOQOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-16-6-8(1)10-3-11(14-7-13-10)15-9-4-12-5-9/h1-3,6-7,9,12H,4-5H2,(H,13,14,15).
What are the key properties of N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine?
N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 232.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 126848907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).