1-(6-aminopurin-9-yl)propan-2-ol

C8H11N5O — CID 1942

IUPAC1-(6-aminopurin-9-yl)propan-2-ol
SMILESCC(O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)
InChIKeyMJZYTEBKXLVLMY-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.21
Rot. Bonds2

About 1-(6-aminopurin-9-yl)propan-2-ol

1-(6-aminopurin-9-yl)propan-2-ol (PubChem CID 1942) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(6-aminopurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-aminopurin-9-yl)propan-2-ol
PubChem CID1942
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-(6-aminopurin-9-yl)propan-2-ol
SMILESCC(O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)
InChIKeyMJZYTEBKXLVLMY-UHFFFAOYSA-N
XLogP-0.21
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-9-yl)propan-2-ol?
The IUPAC name of 1-(6-aminopurin-9-yl)propan-2-ol (CID 1942) is 1-(6-aminopurin-9-yl)propan-2-ol.
What is the SMILES notation for 1-(6-aminopurin-9-yl)propan-2-ol?
The canonical SMILES for 1-(6-aminopurin-9-yl)propan-2-ol is CC(O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of 1-(6-aminopurin-9-yl)propan-2-ol?
The InChIKey is MJZYTEBKXLVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11).
What are the key properties of 1-(6-aminopurin-9-yl)propan-2-ol?
1-(6-aminopurin-9-yl)propan-2-ol has a molecular weight of 193.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-9-yl)propan-2-ol is sourced from PubChem (CID 1942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).