1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol

C8H13N5O2 — CID 102593645

IUPAC1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol
SMILESCC(O)COC1N=C(N)Nc2nc[nH]c21
InChIInChI=1S/C8H13N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3-4,7,14H,2H2,1H3,(H,10,11)(H3,9,12,13)
InChIKeyPUYCGJJPGHKAME-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.45
Rot. Bonds3

About 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol

1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol (PubChem CID 102593645) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol
PubChem CID102593645
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol
SMILESCC(O)COC1N=C(N)Nc2nc[nH]c21
InChIInChI=1S/C8H13N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3-4,7,14H,2H2,1H3,(H,10,11)(H3,9,12,13)
InChIKeyPUYCGJJPGHKAME-UHFFFAOYSA-N
XLogP-0.45
TPSA108.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol (CID 102593645) is 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol is CC(O)COC1N=C(N)Nc2nc[nH]c21.
What is the InChIKey of 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol?
The InChIKey is PUYCGJJPGHKAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3-4,7,14H,2H2,1H3,(H,10,11)(H3,9,12,13).
What are the key properties of 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol?
1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol has a molecular weight of 211.22 g/mol, XLogP of -0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6,7-dihydro-3H-purin-6-yl)oxy]propan-2-ol is sourced from PubChem (CID 102593645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).