N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C20H18N4O — CID 11236121

IUPACN'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H18N4O/c21-11-12-22-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)24-13-23-19/h1-10,13H,11-12,21H2,(H,22,23,24)
InChIKeyGTIQUXGQYVTWOG-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.93
Rot. Bonds5

About N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 11236121) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID11236121
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H18N4O/c21-11-12-22-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)24-13-23-19/h1-10,13H,11-12,21H2,(H,22,23,24)
InChIKeyGTIQUXGQYVTWOG-UHFFFAOYSA-N
XLogP3.93
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine 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 N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 11236121) is N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is NCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is GTIQUXGQYVTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c21-11-12-22-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)24-13-23-19/h1-10,13H,11-12,21H2,(H,22,23,24).
What are the key properties of N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 330.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 11236121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).