[(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol

C15H21N5O2 — CID 3006044

IUPAC[(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol
SMILESCCCCCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C15H21N5O2/c1-2-3-4-5-22-14-12-13(18-15(16)19-14)20(9-17-12)7-10-6-11(10)8-21/h7,9,11,21H,2-6,8H2,1H3,(H2,16,18,19)/b10-7-/t11-/m1/s1
InChIKeyAVLGCEYSHLVFTJ-ZJRUKIMVSA-N
MW303.37 g/mol
LogP1.83
Rot. Bonds7

About [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol

[(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol (PubChem CID 3006044) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol
PubChem CID3006044
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol
SMILESCCCCCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C15H21N5O2/c1-2-3-4-5-22-14-12-13(18-15(16)19-14)20(9-17-12)7-10-6-11(10)8-21/h7,9,11,21H,2-6,8H2,1H3,(H2,16,18,19)/b10-7-/t11-/m1/s1
InChIKeyAVLGCEYSHLVFTJ-ZJRUKIMVSA-N
XLogP1.83
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-Propanediol, 2-(2-(2-amino-6-methoxy-9H-purin-9-yl)ethyl)-
CID 515113
[(1S,2Z)-2-[(2-amino-6-propoxy-purin-9-yl)methylene]cyclopropyl]methanol
CID 3006040
[(1S,2Z)-2-[(6-allyloxy-2-amino-purin-9-yl)methylene]cyclopropyl]methanol
CID 3006041
[2-(2-Amino-6-cyclopropylmethoxy-purin-9-ylmethylene)-cyclopropyl]-methanol
CID 3006045
2-Amino-6-ethoxy-9-(4-hydroxy-3-hydroxymethylbut-1-yl)purine
CID 13869774
2-Amino-9-(4-hydroxy-3-hydroxymethylbut-1-yl)-6-isopropoxypurine
CID 13869775
[(1S,2Z)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]cyclopropyl]methanol
CID 3002846
2-[2-(2-Amino-6-butoxypurin-9-yl)ethyl]propane-1,3-diol
CID 13869776
[(2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 66561486
[2-(2-Amino-6-methoxy-purin-9-ylmethylene)-1-hydroxymethyl-cyclopropyl]-methanol
CID 3006050
[(2Z)-2-[(2-amino-6-prop-2-enoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 9972226
[(2E)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 11482796

Frequently Asked Questions

What is the IUPAC name of [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The IUPAC name of [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol (CID 3006044) is [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The canonical SMILES for [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol is CCCCCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO.
What is the InChIKey of [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The InChIKey is AVLGCEYSHLVFTJ-ZJRUKIMVSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-3-4-5-22-14-12-13(18-15(16)19-14)20(9-17-12)7-10-6-11(10)8-21/h7,9,11,21H,2-6,8H2,1H3,(H2,16,18,19)/b10-7-/t11-/m1/s1.
What are the key properties of [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol?
[(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol has a molecular weight of 303.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2Z)-2-[(2-amino-6-pentoxypurin-9-yl)methylidene]cyclopropyl]methanol is sourced from PubChem (CID 3006044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).