1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol

C11H18N6O — CID 104623697

IUPAC1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H18N6O/c1-4-17(5-11(2,3)18)9-7-8(14-6-13-7)15-10(12)16-9/h6,18H,4-5H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyVGDNCLIGZWHTSQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.53
Rot. Bonds4

About 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol

1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 104623697) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID104623697
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H18N6O/c1-4-17(5-11(2,3)18)9-7-8(14-6-13-7)15-10(12)16-9/h6,18H,4-5H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyVGDNCLIGZWHTSQ-UHFFFAOYSA-N
XLogP0.53
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
6-N,6-N-bis(furan-2-ylmethyl)-7H-purine-2,6-diamine
CID 75505978
6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine
CID 118699160
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
CID 104925667

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol (CID 104623697) is 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is VGDNCLIGZWHTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-4-17(5-11(2,3)18)9-7-8(14-6-13-7)15-10(12)16-9/h6,18H,4-5H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 250.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 104623697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).