3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine

C30H24N4O — CID 1393517

IUPAC3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccccc1
InChIInChI=1S/C30H24N4O/c31-29-27-26(23-13-6-2-7-14-23)28(24-15-8-3-9-16-24)34(20-25-17-10-18-35-25)30(27)32-21-33(29)19-22-11-4-1-5-12-22/h1-18,21,31H,19-20H2/b31-29-
InChIKeyCUPZHICIEZAUQQ-YCNYHXFESA-N
MW456.55 g/mol
LogP6.34
Rot. Bonds6

About 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine

3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (PubChem CID 1393517) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
PubChem CID1393517
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC Name3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccccc1
InChIInChI=1S/C30H24N4O/c31-29-27-26(23-13-6-2-7-14-23)28(24-15-8-3-9-16-24)34(20-25-17-10-18-35-25)30(27)32-21-33(29)19-22-11-4-1-5-12-22/h1-18,21,31H,19-20H2/b31-29-
InChIKeyCUPZHICIEZAUQQ-YCNYHXFESA-N
XLogP6.34
TPSA59.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine 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 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The IUPAC name of 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (CID 1393517) is 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The InChIKey is CUPZHICIEZAUQQ-YCNYHXFESA-N. The full InChI is InChI=1S/C30H24N4O/c31-29-27-26(23-13-6-2-7-14-23)28(24-15-8-3-9-16-24)34(20-25-17-10-18-35-25)30(27)32-21-33(29)19-22-11-4-1-5-12-22/h1-18,21,31H,19-20H2/b31-29-.
What are the key properties of 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine has a molecular weight of 456.55 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 1393517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).