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

C30H31N5O2 — CID 2973487

IUPAC7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCCN1CCOCC1
InChIInChI=1S/C30H31N5O2/c31-29-27-26(23-9-3-1-4-10-23)28(24-11-5-2-6-12-24)35(21-25-13-7-18-37-25)30(27)32-22-34(29)15-8-14-33-16-19-36-20-17-33/h1-7,9-13,18,22,31H,8,14-17,19-21H2/b31-29-
InChIKeyFALDMNVTRFXNIT-YCNYHXFESA-N
MW493.61 g/mol
LogP5.01
Rot. Bonds8

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

7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (PubChem CID 2973487) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
PubChem CID2973487
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCCN1CCOCC1
InChIInChI=1S/C30H31N5O2/c31-29-27-26(23-9-3-1-4-10-23)28(24-11-5-2-6-12-24)35(21-25-13-7-18-37-25)30(27)32-22-34(29)15-8-14-33-16-19-36-20-17-33/h1-7,9-13,18,22,31H,8,14-17,19-21H2/b31-29-
InChIKeyFALDMNVTRFXNIT-YCNYHXFESA-N
XLogP5.01
TPSA72.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The IUPAC name of 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (CID 2973487) is 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCCN1CCOCC1.
What is the InChIKey of 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The InChIKey is FALDMNVTRFXNIT-YCNYHXFESA-N. The full InChI is InChI=1S/C30H31N5O2/c31-29-27-26(23-9-3-1-4-10-23)28(24-11-5-2-6-12-24)35(21-25-13-7-18-37-25)30(27)32-22-34(29)15-8-14-33-16-19-36-20-17-33/h1-7,9-13,18,22,31H,8,14-17,19-21H2/b31-29-.
What are the key properties of 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine has a molecular weight of 493.61 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 2973487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).