N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine

C25H22N6O — CID 137363629

IUPACN-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESc1ccc(C2CCCN2c2nc(Nc3cn(-c4ccccc4)cn3)c3occc3n2)cc1
InChIInChI=1S/C25H22N6O/c1-3-8-18(9-4-1)21-12-7-14-31(21)25-27-20-13-15-32-23(20)24(29-25)28-22-16-30(17-26-22)19-10-5-2-6-11-19/h1-6,8-11,13,15-17,21H,7,12,14H2,(H,27,28,29)
InChIKeyVEKGDRLFTKNSAY-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.49
Rot. Bonds5

About N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine

N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 137363629) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
PubChem CID137363629
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESc1ccc(C2CCCN2c2nc(Nc3cn(-c4ccccc4)cn3)c3occc3n2)cc1
InChIInChI=1S/C25H22N6O/c1-3-8-18(9-4-1)21-12-7-14-31(21)25-27-20-13-15-32-23(20)24(29-25)28-22-16-30(17-26-22)19-10-5-2-6-11-19/h1-6,8-11,13,15-17,21H,7,12,14H2,(H,27,28,29)
InChIKeyVEKGDRLFTKNSAY-UHFFFAOYSA-N
XLogP5.49
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine (CID 137363629) is N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine is c1ccc(C2CCCN2c2nc(Nc3cn(-c4ccccc4)cn3)c3occc3n2)cc1.
What is the InChIKey of N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is VEKGDRLFTKNSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-3-8-18(9-4-1)21-12-7-14-31(21)25-27-20-13-15-32-23(20)24(29-25)28-22-16-30(17-26-22)19-10-5-2-6-11-19/h1-6,8-11,13,15-17,21H,7,12,14H2,(H,27,28,29).
What are the key properties of N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 422.49 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 137363629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).