9-(4-aminobut-2-enyl)purin-6-amine

C9H12N6 — CID 73233001

IUPAC9-(4-aminobut-2-enyl)purin-6-amine
SMILESNCC=CCn1cnc2c(N)ncnc21
InChIInChI=1S/C9H12N6/c10-3-1-2-4-15-6-14-7-8(11)12-5-13-9(7)15/h1-2,5-6H,3-4,10H2,(H2,11,12,13)
InChIKeyNAUGTPNVWBQXAL-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.08
Rot. Bonds3

About 9-(4-aminobut-2-enyl)purin-6-amine

9-(4-aminobut-2-enyl)purin-6-amine (PubChem CID 73233001) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 9-(4-aminobut-2-enyl)purin-6-amine.

Molecular Properties

Compound Name9-(4-aminobut-2-enyl)purin-6-amine
PubChem CID73233001
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name9-(4-aminobut-2-enyl)purin-6-amine
SMILESNCC=CCn1cnc2c(N)ncnc21
InChIInChI=1S/C9H12N6/c10-3-1-2-4-15-6-14-7-8(11)12-5-13-9(7)15/h1-2,5-6H,3-4,10H2,(H2,11,12,13)
InChIKeyNAUGTPNVWBQXAL-UHFFFAOYSA-N
XLogP-0.08
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.08
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

9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
[(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid
CID 15986887
9-(2-methoxyiminoethyl)purin-6-amine
CID 173359043
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol
CID 71427271
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393

Frequently Asked Questions

What is the IUPAC name of 9-(4-aminobut-2-enyl)purin-6-amine?
The IUPAC name of 9-(4-aminobut-2-enyl)purin-6-amine (CID 73233001) is 9-(4-aminobut-2-enyl)purin-6-amine.
What is the SMILES notation for 9-(4-aminobut-2-enyl)purin-6-amine?
The canonical SMILES for 9-(4-aminobut-2-enyl)purin-6-amine is NCC=CCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(4-aminobut-2-enyl)purin-6-amine?
The InChIKey is NAUGTPNVWBQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-3-1-2-4-15-6-14-7-8(11)12-5-13-9(7)15/h1-2,5-6H,3-4,10H2,(H2,11,12,13).
What are the key properties of 9-(4-aminobut-2-enyl)purin-6-amine?
9-(4-aminobut-2-enyl)purin-6-amine has a molecular weight of 204.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-aminobut-2-enyl)purin-6-amine is sourced from PubChem (CID 73233001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).