5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol

C21H21N3O3 — CID 58373541

IUPAC5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESOCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12
InChIInChI=1S/C21H21N3O3/c25-12-6-2-5-11-22-20-18-17(16-10-7-13-26-16)19(15-8-3-1-4-9-15)27-21(18)24-14-23-20/h1,3-4,7-10,13-14,25H,2,5-6,11-12H2,(H,22,23,24)
InChIKeyVEQNWMFQPAQZSF-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.72
Rot. Bonds8

About 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol

5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 58373541) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID58373541
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESOCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12
InChIInChI=1S/C21H21N3O3/c25-12-6-2-5-11-22-20-18-17(16-10-7-13-26-16)19(15-8-3-1-4-9-15)27-21(18)24-14-23-20/h1,3-4,7-10,13-14,25H,2,5-6,11-12H2,(H,22,23,24)
InChIKeyVEQNWMFQPAQZSF-UHFFFAOYSA-N
XLogP4.72
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol 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

6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 58373497
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 58373549
3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium
CID 7644080
N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 11236121
5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine
CID 4902274
7-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]heptan-2-one
CID 143503812
5,6-bis(furan-2-yl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 4894519
6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
CID 25124384
6-[[5-[4-(ethylamino)phenyl]-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
CID 58016772
methyl 6-[[5-(4-methoxy-2-methylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoate
CID 58016843
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 46855198

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 58373541) is 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is OCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12.
What is the InChIKey of 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is VEQNWMFQPAQZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-12-6-2-5-11-22-20-18-17(16-10-7-13-26-16)19(15-8-3-1-4-9-15)27-21(18)24-14-23-20/h1,3-4,7-10,13-14,25H,2,5-6,11-12H2,(H,22,23,24).
What are the key properties of 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 363.42 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 58373541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).