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

C14H16N6O — CID 114785129

IUPAC2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
SMILESCNc1nc(NC(CO)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6O/c1-15-14-19-12-11(16-8-17-12)13(20-14)18-10(7-21)9-5-3-2-4-6-9/h2-6,8,10,21H,7H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyFNFDQYDHDGCBCB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.54
Rot. Bonds5

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

2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol (PubChem CID 114785129) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
PubChem CID114785129
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
SMILESCNc1nc(NC(CO)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6O/c1-15-14-19-12-11(16-8-17-12)13(20-14)18-10(7-21)9-5-3-2-4-6-9/h2-6,8,10,21H,7H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyFNFDQYDHDGCBCB-UHFFFAOYSA-N
XLogP1.54
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol with MolForge

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Related Compounds

(2S)-2-[[6-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-7H-purin-2-yl]amino]-2-phenylethanol
CID 140906927
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
CID 114785052
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol
CID 80812514
3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
CID 106347511
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
CID 114788274
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol?
The IUPAC name of 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol (CID 114785129) is 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol is CNc1nc(NC(CO)c2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol?
The InChIKey is FNFDQYDHDGCBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-15-14-19-12-11(16-8-17-12)13(20-14)18-10(7-21)9-5-3-2-4-6-9/h2-6,8,10,21H,7H2,1H3,(H3,15,16,17,18,19,20).
What are the key properties of 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol?
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol has a molecular weight of 284.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol is sourced from PubChem (CID 114785129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).