(E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol

C10H13N5O — CID 11564784

IUPAC(E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol
SMILESC/C(=C\Cn1cnc2c(N)ncnc21)CO
InChIInChI=1S/C10H13N5O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13)/b7-2+
InChIKeyYIWWRMQTCCDFRT-FARCUNLSSA-N
MW219.25 g/mol
LogP0.35
Rot. Bonds3

About (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol

(E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol (PubChem CID 11564784) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol
PubChem CID11564784
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name(E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol
SMILESC/C(=C\Cn1cnc2c(N)ncnc21)CO
InChIInChI=1S/C10H13N5O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13)/b7-2+
InChIKeyYIWWRMQTCCDFRT-FARCUNLSSA-N
XLogP0.35
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol?
The IUPAC name of (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol (CID 11564784) is (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol?
The canonical SMILES for (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol is C/C(=C\Cn1cnc2c(N)ncnc21)CO.
What is the InChIKey of (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol?
The InChIKey is YIWWRMQTCCDFRT-FARCUNLSSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13)/b7-2+.
What are the key properties of (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol?
(E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol has a molecular weight of 219.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(6-aminopurin-9-yl)-2-methylbut-2-en-1-ol is sourced from PubChem (CID 11564784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).