2-[[8-(benzylamino)purin-9-yl]amino]ethanol

C14H16N6O — CID 54452336

IUPAC2-[[8-(benzylamino)purin-9-yl]amino]ethanol
SMILESOCCNn1c(NCc2ccccc2)nc2cncnc21
InChIInChI=1S/C14H16N6O/c21-7-6-18-20-13-12(9-15-10-17-13)19-14(20)16-8-11-4-2-1-3-5-11/h1-5,9-10,18,21H,6-8H2,(H,16,19)
InChIKeyWVULGBSLWRSOMT-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.97
Rot. Bonds6

About 2-[[8-(benzylamino)purin-9-yl]amino]ethanol

2-[[8-(benzylamino)purin-9-yl]amino]ethanol (PubChem CID 54452336) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[8-(benzylamino)purin-9-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[8-(benzylamino)purin-9-yl]amino]ethanol
PubChem CID54452336
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[[8-(benzylamino)purin-9-yl]amino]ethanol
SMILESOCCNn1c(NCc2ccccc2)nc2cncnc21
InChIInChI=1S/C14H16N6O/c21-7-6-18-20-13-12(9-15-10-17-13)19-14(20)16-8-11-4-2-1-3-5-11/h1-5,9-10,18,21H,6-8H2,(H,16,19)
InChIKeyWVULGBSLWRSOMT-UHFFFAOYSA-N
XLogP0.97
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol
CID 175383389
[4-(benzylamino)pyrimidin-5-yl]methanol
CID 28905189
methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol
CID 142117944
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 25125016
2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol
CID 151552270
2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
CID 115144119
2-[(benzylamino)methylamino]ethanol
CID 57472463
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520409
1-N,2-N-dibenzylimidazole-1,2-diamine
CID 174735131
N-benzyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
CID 2042445

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(benzylamino)purin-9-yl]amino]ethanol?
The IUPAC name of 2-[[8-(benzylamino)purin-9-yl]amino]ethanol (CID 54452336) is 2-[[8-(benzylamino)purin-9-yl]amino]ethanol.
What is the SMILES notation for 2-[[8-(benzylamino)purin-9-yl]amino]ethanol?
The canonical SMILES for 2-[[8-(benzylamino)purin-9-yl]amino]ethanol is OCCNn1c(NCc2ccccc2)nc2cncnc21.
What is the InChIKey of 2-[[8-(benzylamino)purin-9-yl]amino]ethanol?
The InChIKey is WVULGBSLWRSOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c21-7-6-18-20-13-12(9-15-10-17-13)19-14(20)16-8-11-4-2-1-3-5-11/h1-5,9-10,18,21H,6-8H2,(H,16,19).
What are the key properties of 2-[[8-(benzylamino)purin-9-yl]amino]ethanol?
2-[[8-(benzylamino)purin-9-yl]amino]ethanol has a molecular weight of 284.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(benzylamino)purin-9-yl]amino]ethanol is sourced from PubChem (CID 54452336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).