1-(7H-purin-6-ylamino)propan-2-ol

C8H11N5O — CID 3242795

IUPAC1-(7H-purin-6-ylamino)propan-2-ol
SMILESCC(O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-5(14)2-9-7-6-8(11-3-10-6)13-4-12-7/h3-5,14H,2H2,1H3,(H2,9,10,11,12,13)
InChIKeyVWQPVBTWPGJMKM-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.15
Rot. Bonds3

About 1-(7H-purin-6-ylamino)propan-2-ol

1-(7H-purin-6-ylamino)propan-2-ol (PubChem CID 3242795) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(7H-purin-6-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(7H-purin-6-ylamino)propan-2-ol
PubChem CID3242795
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-(7H-purin-6-ylamino)propan-2-ol
SMILESCC(O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-5(14)2-9-7-6-8(11-3-10-6)13-4-12-7/h3-5,14H,2H2,1H3,(H2,9,10,11,12,13)
InChIKeyVWQPVBTWPGJMKM-UHFFFAOYSA-N
XLogP0.15
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-ylamino)propan-2-ol?
The IUPAC name of 1-(7H-purin-6-ylamino)propan-2-ol (CID 3242795) is 1-(7H-purin-6-ylamino)propan-2-ol.
What is the SMILES notation for 1-(7H-purin-6-ylamino)propan-2-ol?
The canonical SMILES for 1-(7H-purin-6-ylamino)propan-2-ol is CC(O)CNc1ncnc2nc[nH]c12.
What is the InChIKey of 1-(7H-purin-6-ylamino)propan-2-ol?
The InChIKey is VWQPVBTWPGJMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(14)2-9-7-6-8(11-3-10-6)13-4-12-7/h3-5,14H,2H2,1H3,(H2,9,10,11,12,13).
What are the key properties of 1-(7H-purin-6-ylamino)propan-2-ol?
1-(7H-purin-6-ylamino)propan-2-ol has a molecular weight of 193.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-ylamino)propan-2-ol is sourced from PubChem (CID 3242795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).