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

C28H34N6O2 — CID 11554885

IUPAC6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1ccc(-c2oc3ncnc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H34N6O2/c1-33(2)18-19-35-23-10-8-22(9-11-23)26-24(21-6-4-3-5-7-21)25-27(31-20-32-28(25)36-26)30-14-17-34-15-12-29-13-16-34/h3-11,20,29H,12-19H2,1-2H3,(H,30,31,32)
InChIKeyHMYOERVFCVBIDK-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.81
Rot. Bonds10

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

6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 11554885) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID11554885
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1ccc(-c2oc3ncnc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H34N6O2/c1-33(2)18-19-35-23-10-8-22(9-11-23)26-24(21-6-4-3-5-7-21)25-27(31-20-32-28(25)36-26)30-14-17-34-15-12-29-13-16-34/h3-11,20,29H,12-19H2,1-2H3,(H,30,31,32)
InChIKeyHMYOERVFCVBIDK-UHFFFAOYSA-N
XLogP3.81
TPSA78.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (CID 11554885) is 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is CN(C)CCOc1ccc(-c2oc3ncnc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is HMYOERVFCVBIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-33(2)18-19-35-23-10-8-22(9-11-23)26-24(21-6-4-3-5-7-21)25-27(31-20-32-28(25)36-26)30-14-17-34-15-12-29-13-16-34/h3-11,20,29H,12-19H2,1-2H3,(H,30,31,32).
What are the key properties of 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 486.62 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11554885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).