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

C29H34N6O2 — CID 11620266

IUPAC6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2c(-c3ccc(CN4CCOCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C29H34N6O2/c1-2-4-23(5-3-1)25-26-28(31-12-15-34-13-10-30-11-14-34)32-21-33-29(26)37-27(25)24-8-6-22(7-9-24)20-35-16-18-36-19-17-35/h1-9,21,30H,10-20H2,(H,31,32,33)
InChIKeyYKMSWECJITXGJA-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.71
Rot. Bonds8

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

6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 11620266) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID11620266
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2c(-c3ccc(CN4CCOCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C29H34N6O2/c1-2-4-23(5-3-1)25-26-28(31-12-15-34-13-10-30-11-14-34)32-21-33-29(26)37-27(25)24-8-6-22(7-9-24)20-35-16-18-36-19-17-35/h1-9,21,30H,10-20H2,(H,31,32,33)
InChIKeyYKMSWECJITXGJA-UHFFFAOYSA-N
XLogP3.71
TPSA78.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
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-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (CID 11620266) is 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is c1ccc(-c2c(-c3ccc(CN4CCOCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1.
What is the InChIKey of 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is YKMSWECJITXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-2-4-23(5-3-1)25-26-28(31-12-15-34-13-10-30-11-14-34)32-21-33-29(26)37-27(25)24-8-6-22(7-9-24)20-35-16-18-36-19-17-35/h1-9,21,30H,10-20H2,(H,31,32,33).
What are the key properties of 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 498.63 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11620266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).