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

C24H20N4O — CID 50985818

IUPAC7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)cn(Cc3ccccc3)c2ncn1Cc1ccco1
InChIInChI=1S/C24H20N4O/c25-23-22-21(19-10-5-2-6-11-19)16-27(14-18-8-3-1-4-9-18)24(22)26-17-28(23)15-20-12-7-13-29-20/h1-13,16-17,25H,14-15H2/b25-23-
InChIKeyYNVACCOOLJSYOL-BZZOAKBMSA-N
MW380.45 g/mol
LogP4.67
Rot. Bonds5

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

7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine (PubChem CID 50985818) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine
PubChem CID50985818
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)cn(Cc3ccccc3)c2ncn1Cc1ccco1
InChIInChI=1S/C24H20N4O/c25-23-22-21(19-10-5-2-6-11-19)16-27(14-18-8-3-1-4-9-18)24(22)26-17-28(23)15-20-12-7-13-29-20/h1-13,16-17,25H,14-15H2/b25-23-
InChIKeyYNVACCOOLJSYOL-BZZOAKBMSA-N
XLogP4.67
TPSA59.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[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

Related Compounds

2-[[7-(Furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 661878
7-(Furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 667118
7-(Furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 1312086
7-(2-furylmethyl)-3-isobutyl-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 1312356
3,7-bis(2-furylmethyl)-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 1315075
3-benzyl-7-(2-furylmethyl)-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 1393517
3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol
CID 3784610
2-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3232916
4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3234078
N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234803
5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3235525
(E)-N-(furan-2-ylmethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide
CID 155542967

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine?
The IUPAC name of 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine (CID 50985818) is 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(-c3ccccc3)cn(Cc3ccccc3)c2ncn1Cc1ccco1.
What is the InChIKey of 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine?
The InChIKey is YNVACCOOLJSYOL-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H20N4O/c25-23-22-21(19-10-5-2-6-11-19)16-27(14-18-8-3-1-4-9-18)24(22)26-17-28(23)15-20-12-7-13-29-20/h1-13,16-17,25H,14-15H2/b25-23-.
What are the key properties of 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine?
7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine has a molecular weight of 380.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 50985818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).