acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

C17H21N5O4 — CID 172762962

IUPACacetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCC(=O)O.COc1ccc2oc3c(N4CCNCC4)nc(N)nc3c2c1
InChIInChI=1S/C15H17N5O2.C2H4O2/c1-21-9-2-3-11-10(8-9)12-13(22-11)14(19-15(16)18-12)20-6-4-17-5-7-20;1-2(3)4/h2-3,8,17H,4-7H2,1H3,(H2,16,18,19);1H3,(H,3,4)
InChIKeyLXZDXENGKIVNPY-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.47
Rot. Bonds2

About acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 172762962) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Nameacetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID172762962
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Nameacetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCC(=O)O.COc1ccc2oc3c(N4CCNCC4)nc(N)nc3c2c1
InChIInChI=1S/C15H17N5O2.C2H4O2/c1-21-9-2-3-11-10(8-9)12-13(22-11)14(19-15(16)18-12)20-6-4-17-5-7-20;1-2(3)4/h2-3,8,17H,4-7H2,1H3,(H2,16,18,19);1H3,(H,3,4)
InChIKeyLXZDXENGKIVNPY-UHFFFAOYSA-N
XLogP1.47
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 172762962) is acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is CC(=O)O.COc1ccc2oc3c(N4CCNCC4)nc(N)nc3c2c1.
What is the InChIKey of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is LXZDXENGKIVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.C2H4O2/c1-21-9-2-3-11-10(8-9)12-13(22-11)14(19-15(16)18-12)20-6-4-17-5-7-20;1-2(3)4/h2-3,8,17H,4-7H2,1H3,(H2,16,18,19);1H3,(H,3,4).
What are the key properties of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 172762962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).