[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol

C13H19N9O2 — CID 19875305

IUPAC[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
SMILESCCCNc1nc(N)nc2c1ncn2C1CC(N=[N+]=[N-])C(CO)O1
InChIInChI=1S/C13H19N9O2/c1-2-3-16-11-10-12(19-13(14)18-11)22(6-17-10)9-4-7(20-21-15)8(5-23)24-9/h6-9,23H,2-5H2,1H3,(H3,14,16,18,19)
InChIKeyVGPTVLPJUCPPCR-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.19
Rot. Bonds6

About [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol

[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol (PubChem CID 19875305) has the molecular formula C13H19N9O2 and a molecular weight of 333.36 g/mol. Its IUPAC name is [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
PubChem CID19875305
Molecular FormulaC13H19N9O2
Molecular Weight333.36 g/mol
Exact Mass333.17
IUPAC Name[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
SMILESCCCNc1nc(N)nc2c1ncn2C1CC(N=[N+]=[N-])C(CO)O1
InChIInChI=1S/C13H19N9O2/c1-2-3-16-11-10-12(19-13(14)18-11)22(6-17-10)9-4-7(20-21-15)8(5-23)24-9/h6-9,23H,2-5H2,1H3,(H3,14,16,18,19)
InChIKeyVGPTVLPJUCPPCR-UHFFFAOYSA-N
XLogP1.19
TPSA159.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
CID 67703963
[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
CID 19875293
(3R,4S,5R)-2-[2-amino-6-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876589
2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135433653
2-amino-9-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135602118
[[(2R,3R,5S)-3-azido-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 56683772
N-[9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 90477184
(2R,3S,5R)-5-[6-(butylamino)-2-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 10042975
[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
CID 67703950
(3S,4R,5S)-2-[2-amino-6-[4-[[2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876447
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689

Frequently Asked Questions

What is the IUPAC name of [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
The IUPAC name of [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol (CID 19875305) is [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol.
What is the SMILES notation for [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
The canonical SMILES for [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol is CCCNc1nc(N)nc2c1ncn2C1CC(N=[N+]=[N-])C(CO)O1.
What is the InChIKey of [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
The InChIKey is VGPTVLPJUCPPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N9O2/c1-2-3-16-11-10-12(19-13(14)18-11)22(6-17-10)9-4-7(20-21-15)8(5-23)24-9/h6-9,23H,2-5H2,1H3,(H3,14,16,18,19).
What are the key properties of [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol?
[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol has a molecular weight of 333.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol is sourced from PubChem (CID 19875305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).