4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol

C18H18N6O2 — CID 117084349

IUPAC4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol
SMILESCc1noc(C)c1-c1nc2ncnc(NCCc3ccc(O)cc3)c2[nH]1
InChIInChI=1S/C18H18N6O2/c1-10-14(11(2)26-24-10)16-22-15-17(20-9-21-18(15)23-16)19-8-7-12-3-5-13(25)6-4-12/h3-6,9,25H,7-8H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyPAVGNISHENNVIA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.98
Rot. Bonds5

About 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol

4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol (PubChem CID 117084349) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol
PubChem CID117084349
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol
SMILESCc1noc(C)c1-c1nc2ncnc(NCCc3ccc(O)cc3)c2[nH]1
InChIInChI=1S/C18H18N6O2/c1-10-14(11(2)26-24-10)16-22-15-17(20-9-21-18(15)23-16)19-8-7-12-3-5-13(25)6-4-12/h3-6,9,25H,7-8H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyPAVGNISHENNVIA-UHFFFAOYSA-N
XLogP2.98
TPSA112.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol (CID 117084349) is 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol is Cc1noc(C)c1-c1nc2ncnc(NCCc3ccc(O)cc3)c2[nH]1.
What is the InChIKey of 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol?
The InChIKey is PAVGNISHENNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-10-14(11(2)26-24-10)16-22-15-17(20-9-21-18(15)23-16)19-8-7-12-3-5-13(25)6-4-12/h3-6,9,25H,7-8H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol?
4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol has a molecular weight of 350.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-purin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 117084349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).