2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol

C13H12ClN5O — CID 104697491

IUPAC2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol
SMILESOC(CNc1nc(Cl)nc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C13H12ClN5O/c14-13-18-11(10-12(19-13)17-7-16-10)15-6-9(20)8-4-2-1-3-5-8/h1-5,7,9,20H,6H2,(H2,15,16,17,18,19)
InChIKeyVYLFTOQRMXRCDY-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.15
Rot. Bonds4

About 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol

2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol (PubChem CID 104697491) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol
PubChem CID104697491
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol
SMILESOC(CNc1nc(Cl)nc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C13H12ClN5O/c14-13-18-11(10-12(19-13)17-7-16-10)15-6-9(20)8-4-2-1-3-5-8/h1-5,7,9,20H,6H2,(H2,15,16,17,18,19)
InChIKeyVYLFTOQRMXRCDY-UHFFFAOYSA-N
XLogP2.15
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol 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

1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
CID 104697715
6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 139906156
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 79075229
(2S)-2-[(2-chloro-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 56622135
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate
CID 10109871
3-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697631
4-[(2-chloro-7H-purin-6-yl)amino]-1-methoxybutan-2-ol
CID 106248433
4-[(2-hydroxy-2-phenylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956079
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
CID 142057202

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol (CID 104697491) is 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol is OC(CNc1nc(Cl)nc2nc[nH]c12)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol?
The InChIKey is VYLFTOQRMXRCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-13-18-11(10-12(19-13)17-7-16-10)15-6-9(20)8-4-2-1-3-5-8/h1-5,7,9,20H,6H2,(H2,15,16,17,18,19).
What are the key properties of 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol?
2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol has a molecular weight of 289.73 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol is sourced from PubChem (CID 104697491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).