4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol

C17H18N8O — CID 117092853

IUPAC4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol
SMILESCn1nccc1Nc1nc2ncnc(NCCc3ccc(O)cc3)c2[nH]1
InChIInChI=1S/C17H18N8O/c1-25-13(7-9-21-25)22-17-23-14-15(19-10-20-16(14)24-17)18-8-6-11-2-4-12(26)5-3-11/h2-5,7,9-10,26H,6,8H2,1H3,(H3,18,19,20,22,23,24)
InChIKeyOGMFXZWOJYXPNT-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.19
Rot. Bonds6

About 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol

4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol (PubChem CID 117092853) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol
PubChem CID117092853
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol
SMILESCn1nccc1Nc1nc2ncnc(NCCc3ccc(O)cc3)c2[nH]1
InChIInChI=1S/C17H18N8O/c1-25-13(7-9-21-25)22-17-23-14-15(19-10-20-16(14)24-17)18-8-6-11-2-4-12(26)5-3-11/h2-5,7,9-10,26H,6,8H2,1H3,(H3,18,19,20,22,23,24)
InChIKeyOGMFXZWOJYXPNT-UHFFFAOYSA-N
XLogP2.19
TPSA116.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-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-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol (CID 117092853) is 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol is Cn1nccc1Nc1nc2ncnc(NCCc3ccc(O)cc3)c2[nH]1.
What is the InChIKey of 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol?
The InChIKey is OGMFXZWOJYXPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-25-13(7-9-21-25)22-17-23-14-15(19-10-20-16(14)24-17)18-8-6-11-2-4-12(26)5-3-11/h2-5,7,9-10,26H,6,8H2,1H3,(H3,18,19,20,22,23,24).
What are the key properties of 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol?
4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol has a molecular weight of 350.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 117092853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).