4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine

C13H12ClN5O — CID 24739219

IUPAC4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CC(N)C2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C13H12ClN5O/c14-6-1-2-9-8(3-6)10-11(20-9)12(18-13(16)17-10)19-4-7(15)5-19/h1-3,7H,4-5,15H2,(H2,16,17,18)
InChIKeyPTGSBIANUNXOIE-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.76
Rot. Bonds1

About 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24739219) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24739219
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CC(N)C2)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C13H12ClN5O/c14-6-1-2-9-8(3-6)10-11(20-9)12(18-13(16)17-10)19-4-7(15)5-19/h1-3,7H,4-5,15H2,(H2,16,17,18)
InChIKeyPTGSBIANUNXOIE-UHFFFAOYSA-N
XLogP1.76
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24739219) is 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(N2CC(N)C2)c2oc3ccc(Cl)cc3c2n1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is PTGSBIANUNXOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-6-1-2-9-8(3-6)10-11(20-9)12(18-13(16)17-10)19-4-7(15)5-19/h1-3,7H,4-5,15H2,(H2,16,17,18).
What are the key properties of 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 289.73 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24739219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).