4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

C14H15N5O — CID 44628629

IUPAC4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C14H15N5O/c15-14-17-11-9-3-1-2-4-10(9)20-12(11)13(18-14)19-7-5-16-6-8-19/h1-4,16H,5-8H2,(H2,15,17,18)
InChIKeyBENLJIXZYVNONE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.37
Rot. Bonds1

About 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 44628629) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID44628629
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C14H15N5O/c15-14-17-11-9-3-1-2-4-10(9)20-12(11)13(18-14)19-7-5-16-6-8-19/h1-4,16H,5-8H2,(H2,15,17,18)
InChIKeyBENLJIXZYVNONE-UHFFFAOYSA-N
XLogP1.37
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 44628629) is 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(N2CCNCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is BENLJIXZYVNONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-14-17-11-9-3-1-2-4-10(9)20-12(11)13(18-14)19-7-5-16-6-8-19/h1-4,16H,5-8H2,(H2,15,17,18).
What are the key properties of 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 44628629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).