N-butyl-7H-purin-6-amine

C9H13N5 — CID 521516

IUPACN-butyl-7H-purin-6-amine
SMILESCCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyCRYKTDPNUYNOTI-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.56
Rot. Bonds4

About N-butyl-7H-purin-6-amine

N-butyl-7H-purin-6-amine (PubChem CID 521516) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-butyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-butyl-7H-purin-6-amine
PubChem CID521516
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-butyl-7H-purin-6-amine
SMILESCCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyCRYKTDPNUYNOTI-UHFFFAOYSA-N
XLogP1.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Adenine
CID 190
Zeatin
CID 449093
2,6-Diaminopurine
CID 30976
2-Aminopurine
CID 9955
Purine
CID 1044
6-Chloropurine
CID 5359277
6-Dimethylaminopurine
CID 3134
Isopentenyladenine
CID 92180
N6-Methyladenine
CID 67955
6-Hydroxyaminopurine
CID 21876
Cis-Zeatin
CID 688597
7-Methyladenine
CID 71593

Frequently Asked Questions

What is the IUPAC name of N-butyl-7H-purin-6-amine?
The IUPAC name of N-butyl-7H-purin-6-amine (CID 521516) is N-butyl-7H-purin-6-amine.
What is the SMILES notation for N-butyl-7H-purin-6-amine?
The canonical SMILES for N-butyl-7H-purin-6-amine is CCCCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-butyl-7H-purin-6-amine?
The InChIKey is CRYKTDPNUYNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-butyl-7H-purin-6-amine?
N-butyl-7H-purin-6-amine has a molecular weight of 191.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7H-purin-6-amine is sourced from PubChem (CID 521516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).