4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine

C21H23N5O3 — CID 45487716

IUPAC4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine
SMILESc1cc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccn1
InChIInChI=1S/C21H23N5O3/c1-2-19(29-18(1)16-3-5-22-6-4-16)17-15-20(25-7-11-27-12-8-25)24-21(23-17)26-9-13-28-14-10-26/h1-6,15H,7-14H2
InChIKeyAGMONRAPNWWEIA-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.47
Rot. Bonds4

About 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine

4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 45487716) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine
PubChem CID45487716
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine
SMILESc1cc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccn1
InChIInChI=1S/C21H23N5O3/c1-2-19(29-18(1)16-3-5-22-6-4-16)17-15-20(25-7-11-27-12-8-25)24-21(23-17)26-9-13-28-14-10-26/h1-6,15H,7-14H2
InChIKeyAGMONRAPNWWEIA-UHFFFAOYSA-N
XLogP2.47
TPSA76.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine 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 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine (CID 45487716) is 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine is c1cc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccn1.
What is the InChIKey of 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine?
The InChIKey is AGMONRAPNWWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-2-19(29-18(1)16-3-5-22-6-4-16)17-15-20(25-7-11-27-12-8-25)24-21(23-17)26-9-13-28-14-10-26/h1-6,15H,7-14H2.
What are the key properties of 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine?
4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 393.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 45487716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).