N-but-1-enyl-7H-purin-8-amine

C9H11N5 — CID 70003490

IUPACN-but-1-enyl-7H-purin-8-amine
SMILESCCC=CNc1nc2ncncc2[nH]1
InChIInChI=1S/C9H11N5/c1-2-3-4-11-9-13-7-5-10-6-12-8(7)14-9/h3-6H,2H2,1H3,(H2,10,11,12,13,14)
InChIKeyDDNSAQAGLYTFMI-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.69
Rot. Bonds3

About N-but-1-enyl-7H-purin-8-amine

N-but-1-enyl-7H-purin-8-amine (PubChem CID 70003490) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-but-1-enyl-7H-purin-8-amine.

Molecular Properties

Compound NameN-but-1-enyl-7H-purin-8-amine
PubChem CID70003490
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-but-1-enyl-7H-purin-8-amine
SMILESCCC=CNc1nc2ncncc2[nH]1
InChIInChI=1S/C9H11N5/c1-2-3-4-11-9-13-7-5-10-6-12-8(7)14-9/h3-6H,2H2,1H3,(H2,10,11,12,13,14)
InChIKeyDDNSAQAGLYTFMI-UHFFFAOYSA-N
XLogP1.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
Isopentenyladenine
CID 92180
2-Methyladenine
CID 15048
8-(Methylthio)purine
CID 95217
N6-Ethenoadenine
CID 104994
5H-Pyrrolo[2,3-b]pyrazine
CID 5370803
2-Aminopurine nitrate
CID 160416
2-chloro-7H-purine
CID 519314
Adenine,N6-propyl
CID 2155040
3H-Purin-6-amine, 3-(3-methyl-2-butenyl)-
CID 441540
N,N-dipropyl-9H-purin-6-amine
CID 756688

Frequently Asked Questions

What is the IUPAC name of N-but-1-enyl-7H-purin-8-amine?
The IUPAC name of N-but-1-enyl-7H-purin-8-amine (CID 70003490) is N-but-1-enyl-7H-purin-8-amine.
What is the SMILES notation for N-but-1-enyl-7H-purin-8-amine?
The canonical SMILES for N-but-1-enyl-7H-purin-8-amine is CCC=CNc1nc2ncncc2[nH]1.
What is the InChIKey of N-but-1-enyl-7H-purin-8-amine?
The InChIKey is DDNSAQAGLYTFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-3-4-11-9-13-7-5-10-6-12-8(7)14-9/h3-6H,2H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-but-1-enyl-7H-purin-8-amine?
N-but-1-enyl-7H-purin-8-amine has a molecular weight of 189.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enyl-7H-purin-8-amine is sourced from PubChem (CID 70003490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).