2-amino-1-(6-aminopurin-9-yl)propan-1-one

C8H10N6O — CID 71368841

IUPAC2-amino-1-(6-aminopurin-9-yl)propan-1-one
SMILESCC(N)C(=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C8H10N6O/c1-4(9)8(15)14-3-13-5-6(10)11-2-12-7(5)14/h2-4H,9H2,1H3,(H2,10,11,12)
InChIKeyQPJBDHFIFTZTSC-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.60
Rot. Bonds1

About 2-amino-1-(6-aminopurin-9-yl)propan-1-one

2-amino-1-(6-aminopurin-9-yl)propan-1-one (PubChem CID 71368841) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-amino-1-(6-aminopurin-9-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-aminopurin-9-yl)propan-1-one
PubChem CID71368841
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-amino-1-(6-aminopurin-9-yl)propan-1-one
SMILESCC(N)C(=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C8H10N6O/c1-4(9)8(15)14-3-13-5-6(10)11-2-12-7(5)14/h2-4H,9H2,1H3,(H2,10,11,12)
InChIKeyQPJBDHFIFTZTSC-UHFFFAOYSA-N
XLogP-0.60
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-aminopurin-9-yl)propan-1-one?
The IUPAC name of 2-amino-1-(6-aminopurin-9-yl)propan-1-one (CID 71368841) is 2-amino-1-(6-aminopurin-9-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(6-aminopurin-9-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(6-aminopurin-9-yl)propan-1-one is CC(N)C(=O)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-amino-1-(6-aminopurin-9-yl)propan-1-one?
The InChIKey is QPJBDHFIFTZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-4(9)8(15)14-3-13-5-6(10)11-2-12-7(5)14/h2-4H,9H2,1H3,(H2,10,11,12).
What are the key properties of 2-amino-1-(6-aminopurin-9-yl)propan-1-one?
2-amino-1-(6-aminopurin-9-yl)propan-1-one has a molecular weight of 206.21 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-aminopurin-9-yl)propan-1-one is sourced from PubChem (CID 71368841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).