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

C9H11N5O — CID 6439007

IUPAC(E)-4-(6-aminopurin-9-yl)but-2-en-1-ol
SMILESNc1ncnc2c1ncn2C/C=C/CO
InChIInChI=1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1+
InChIKeyDYLIWHYUXAJDOJ-OWOJBTEDSA-N
MW205.22 g/mol
LogP-0.04
Rot. Bonds3

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

(E)-4-(6-aminopurin-9-yl)but-2-en-1-ol (PubChem CID 6439007) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(6-aminopurin-9-yl)but-2-en-1-ol
PubChem CID6439007
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(E)-4-(6-aminopurin-9-yl)but-2-en-1-ol
SMILESNc1ncnc2c1ncn2C/C=C/CO
InChIInChI=1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1+
InChIKeyDYLIWHYUXAJDOJ-OWOJBTEDSA-N
XLogP-0.04
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Zeatin
CID 449093
Cis-Zeatin
CID 688597
2-(6-Aminopurin-9-yl)ethanol
CID 242652
9-(2-Hydroxypropyl)adenine, (R)-
CID 445211
(S)-9-(2,3-dihydroxypropyl)adenine
CID 73124
9-(3-Methyl-but-2-enyl)-9H-purin-6-ylamine
CID 10655770
8-Ethoxy-9-ethyladenine
CID 11805896
2',3'-Didehydro-2',3'-dideoxyadenosine
CID 64975
2-(6-amino-8-bromo-9H-purin-9-yl)ethanol
CID 44572469
8-Bromo-9-(3-hydroxypropyl)-9H-adenine
CID 44572471
9-(2-Hydroxypropyl)adenine
CID 1942
9-Propyl-9h-purin-6-amine
CID 247436

Frequently Asked Questions

What is the IUPAC name of (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol?
The IUPAC name of (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol (CID 6439007) is (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol is Nc1ncnc2c1ncn2C/C=C/CO.
What is the InChIKey of (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol?
The InChIKey is DYLIWHYUXAJDOJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1+.
What are the key properties of (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol?
(E)-4-(6-aminopurin-9-yl)but-2-en-1-ol has a molecular weight of 205.22 g/mol, XLogP of -0.04, 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)but-2-en-1-ol is sourced from PubChem (CID 6439007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).