N-(3-methylbutyl)-7H-purin-6-amine

C10H15N5 — CID 3340547

IUPACN-(3-methylbutyl)-7H-purin-6-amine
SMILESCC(C)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyFZQMZXGTZAPBAK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds4

About N-(3-methylbutyl)-7H-purin-6-amine

N-(3-methylbutyl)-7H-purin-6-amine (PubChem CID 3340547) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-methylbutyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-7H-purin-6-amine
PubChem CID3340547
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN-(3-methylbutyl)-7H-purin-6-amine
SMILESCC(C)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyFZQMZXGTZAPBAK-UHFFFAOYSA-N
XLogP1.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-7H-purin-6-amine?
The IUPAC name of N-(3-methylbutyl)-7H-purin-6-amine (CID 3340547) is N-(3-methylbutyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3-methylbutyl)-7H-purin-6-amine?
The canonical SMILES for N-(3-methylbutyl)-7H-purin-6-amine is CC(C)CCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-(3-methylbutyl)-7H-purin-6-amine?
The InChIKey is FZQMZXGTZAPBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-(3-methylbutyl)-7H-purin-6-amine?
N-(3-methylbutyl)-7H-purin-6-amine has a molecular weight of 205.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-7H-purin-6-amine is sourced from PubChem (CID 3340547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).