N-propyl-7H-purin-8-amine

C8H11N5 — CID 54527137

IUPACN-propyl-7H-purin-8-amine
SMILESCCCNc1nc2ncncc2[nH]1
InChIInChI=1S/C8H11N5/c1-2-3-10-8-12-6-4-9-5-11-7(6)13-8/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyYTXNIVIUAZNXJF-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.17
Rot. Bonds3

About N-propyl-7H-purin-8-amine

N-propyl-7H-purin-8-amine (PubChem CID 54527137) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N-propyl-7H-purin-8-amine.

Molecular Properties

Compound NameN-propyl-7H-purin-8-amine
PubChem CID54527137
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN-propyl-7H-purin-8-amine
SMILESCCCNc1nc2ncncc2[nH]1
InChIInChI=1S/C8H11N5/c1-2-3-10-8-12-6-4-9-5-11-7(6)13-8/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyYTXNIVIUAZNXJF-UHFFFAOYSA-N
XLogP1.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
2-Aminopurine
CID 9955
Purine
CID 1044
Isopentenyladenine
CID 92180
6-Dimethylaminopurine
CID 3134
2-Fluoroadenine
CID 12790
N6-Methyladenine
CID 67955
Adenine hydrochloride
CID 76219
2-Methyladenine
CID 15048
8-(Methylthio)purine
CID 95217
N6-Ethenoadenine
CID 104994

Frequently Asked Questions

What is the IUPAC name of N-propyl-7H-purin-8-amine?
The IUPAC name of N-propyl-7H-purin-8-amine (CID 54527137) is N-propyl-7H-purin-8-amine.
What is the SMILES notation for N-propyl-7H-purin-8-amine?
The canonical SMILES for N-propyl-7H-purin-8-amine is CCCNc1nc2ncncc2[nH]1.
What is the InChIKey of N-propyl-7H-purin-8-amine?
The InChIKey is YTXNIVIUAZNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-2-3-10-8-12-6-4-9-5-11-7(6)13-8/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-propyl-7H-purin-8-amine?
N-propyl-7H-purin-8-amine has a molecular weight of 177.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7H-purin-8-amine is sourced from PubChem (CID 54527137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).