6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine

C28H32N6O2 — CID 11648745

IUPAC6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C28H32N6O2/c1-2-4-21(5-3-1)24-25-27(30-12-15-33-13-10-29-11-14-33)31-20-32-28(25)36-26(24)22-6-8-23(9-7-22)34-16-18-35-19-17-34/h1-9,20,29H,10-19H2,(H,30,31,32)
InChIKeyYHTSUIXFAAQWLU-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.71
Rot. Bonds7

About 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine

6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 11648745) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID11648745
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C28H32N6O2/c1-2-4-21(5-3-1)24-25-27(30-12-15-33-13-10-29-11-14-33)31-20-32-28(25)36-26(24)22-6-8-23(9-7-22)34-16-18-35-19-17-34/h1-9,20,29H,10-19H2,(H,30,31,32)
InChIKeyYHTSUIXFAAQWLU-UHFFFAOYSA-N
XLogP3.71
TPSA78.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (CID 11648745) is 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is c1ccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1.
What is the InChIKey of 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is YHTSUIXFAAQWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-2-4-21(5-3-1)24-25-27(30-12-15-33-13-10-29-11-14-33)31-20-32-28(25)36-26(24)22-6-8-23(9-7-22)34-16-18-35-19-17-34/h1-9,20,29H,10-19H2,(H,30,31,32).
What are the key properties of 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 484.60 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylphenyl)-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11648745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).