4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol

C20H17N3O3 — CID 134155401

IUPAC4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol
SMILESOC[C@@H](Nc1ncnc2oc(-c3ccc(O)cc3)cc12)c1ccccc1
InChIInChI=1S/C20H17N3O3/c24-11-17(13-4-2-1-3-5-13)23-19-16-10-18(26-20(16)22-12-21-19)14-6-8-15(25)9-7-14/h1-10,12,17,24-25H,11H2,(H,21,22,23)/t17-/m1/s1
InChIKeyIBMWBDJHLOWFPJ-QGZVFWFLSA-N
MW347.37 g/mol
LogP3.74
Rot. Bonds5

About 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol

4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol (PubChem CID 134155401) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol
PubChem CID134155401
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol
SMILESOC[C@@H](Nc1ncnc2oc(-c3ccc(O)cc3)cc12)c1ccccc1
InChIInChI=1S/C20H17N3O3/c24-11-17(13-4-2-1-3-5-13)23-19-16-10-18(26-20(16)22-12-21-19)14-6-8-15(25)9-7-14/h1-10,12,17,24-25H,11H2,(H,21,22,23)/t17-/m1/s1
InChIKeyIBMWBDJHLOWFPJ-QGZVFWFLSA-N
XLogP3.74
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol 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

(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 134154708
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697
4-[4-[[(1R)-1-phenylpropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 56935103
6-(4-methylphenyl)-N-phenylfuro[2,3-d]pyrimidin-4-amine
CID 11681004
(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 160728187
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556
2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604579
(2S)-2-[[5-(3-nitrophenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 46855360
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 80812449
methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 25123737
(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 148887710

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol?
The IUPAC name of 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol (CID 134155401) is 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol is OC[C@@H](Nc1ncnc2oc(-c3ccc(O)cc3)cc12)c1ccccc1.
What is the InChIKey of 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol?
The InChIKey is IBMWBDJHLOWFPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-11-17(13-4-2-1-3-5-13)23-19-16-10-18(26-20(16)22-12-21-19)14-6-8-15(25)9-7-14/h1-10,12,17,24-25H,11H2,(H,21,22,23)/t17-/m1/s1.
What are the key properties of 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol?
4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol has a molecular weight of 347.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 134155401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).