N-propan-2-yl-7H-purin-6-amine

C8H11N5 — CID 907882

IUPACN-propan-2-yl-7H-purin-6-amine
SMILESCC(C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H2,9,10,11,12,13)
InChIKeyPEBFHJTVTOEWIX-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.17
Rot. Bonds2

About N-propan-2-yl-7H-purin-6-amine

N-propan-2-yl-7H-purin-6-amine (PubChem CID 907882) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N-propan-2-yl-7H-purin-6-amine.

Molecular Properties

Compound NameN-propan-2-yl-7H-purin-6-amine
PubChem CID907882
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN-propan-2-yl-7H-purin-6-amine
SMILESCC(C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H2,9,10,11,12,13)
InChIKeyPEBFHJTVTOEWIX-UHFFFAOYSA-N
XLogP1.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-7H-purin-6-amine?
The IUPAC name of N-propan-2-yl-7H-purin-6-amine (CID 907882) is N-propan-2-yl-7H-purin-6-amine.
What is the SMILES notation for N-propan-2-yl-7H-purin-6-amine?
The canonical SMILES for N-propan-2-yl-7H-purin-6-amine is CC(C)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-propan-2-yl-7H-purin-6-amine?
The InChIKey is PEBFHJTVTOEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H2,9,10,11,12,13).
What are the key properties of N-propan-2-yl-7H-purin-6-amine?
N-propan-2-yl-7H-purin-6-amine has a molecular weight of 177.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-7H-purin-6-amine is sourced from PubChem (CID 907882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).