2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C25H30N8O2 — CID 10151957

IUPAC2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(N3CCN(CCN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27)
InChIKeyIXNBQMCWYYGDCW-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.09
Rot. Bonds6

About 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10151957) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10151957
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(N3CCN(CCN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27)
InChIKeyIXNBQMCWYYGDCW-UHFFFAOYSA-N
XLogP2.09
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-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 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10151957) is 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2cccc(N3CCN(CCN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is IXNBQMCWYYGDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27).
What are the key properties of 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 474.57 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10151957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).