1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol

C9H14N6O — CID 114607937

IUPAC1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C9H14N6O/c1-9(16,3-10)2-5-14-6-7(11)12-4-13-8(6)15-5/h4,16H,2-3,10H2,1H3,(H3,11,12,13,14,15)
InChIKeyULBCHZOPONUPNJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.81
Rot. Bonds3

About 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol

1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol (PubChem CID 114607937) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
PubChem CID114607937
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C9H14N6O/c1-9(16,3-10)2-5-14-6-7(11)12-4-13-8(6)15-5/h4,16H,2-3,10H2,1H3,(H3,11,12,13,14,15)
InChIKeyULBCHZOPONUPNJ-UHFFFAOYSA-N
XLogP-0.81
TPSA126.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol (CID 114607937) is 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol is CC(O)(CN)Cc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol?
The InChIKey is ULBCHZOPONUPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-9(16,3-10)2-5-14-6-7(11)12-4-13-8(6)15-5/h4,16H,2-3,10H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol?
1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol has a molecular weight of 222.25 g/mol, XLogP of -0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 114607937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).