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

C8H9N5O — CID 14258026

IUPAC1-(6-aminopurin-9-yl)propan-2-one
SMILESCC(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C8H9N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-4H,2H2,1H3,(H2,9,10,11)
InChIKeyQVVQIXZDNRKXPV-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.00
Rot. Bonds2

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

1-(6-aminopurin-9-yl)propan-2-one (PubChem CID 14258026) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(6-aminopurin-9-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-aminopurin-9-yl)propan-2-one
PubChem CID14258026
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name1-(6-aminopurin-9-yl)propan-2-one
SMILESCC(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C8H9N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-4H,2H2,1H3,(H2,9,10,11)
InChIKeyQVVQIXZDNRKXPV-UHFFFAOYSA-N
XLogP-0.00
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
N-[3-(6-aminopurin-9-yl)propyl]-2-methylprop-2-enamide
CID 137499406
2-(6-aminopurin-9-yl)-1-(4-bromophenyl)ethanone
CID 62023863
2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
1-(6-aminopurin-9-yl)ethanone
CID 56662952
N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)
CID 159289432
9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine
CID 166551576
2-acetamido-3-(6-aminopurin-9-yl)propanoic acid
CID 64580913
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-9-yl)propan-2-one?
The IUPAC name of 1-(6-aminopurin-9-yl)propan-2-one (CID 14258026) is 1-(6-aminopurin-9-yl)propan-2-one.
What is the SMILES notation for 1-(6-aminopurin-9-yl)propan-2-one?
The canonical SMILES for 1-(6-aminopurin-9-yl)propan-2-one is CC(=O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of 1-(6-aminopurin-9-yl)propan-2-one?
The InChIKey is QVVQIXZDNRKXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-4H,2H2,1H3,(H2,9,10,11).
What are the key properties of 1-(6-aminopurin-9-yl)propan-2-one?
1-(6-aminopurin-9-yl)propan-2-one has a molecular weight of 191.19 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-9-yl)propan-2-one is sourced from PubChem (CID 14258026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).