6-(1-amino-2-methylpropyl)-7H-purin-2-amine

C9H14N6 — CID 174749198

IUPAC6-(1-amino-2-methylpropyl)-7H-purin-2-amine
SMILESCC(C)C(N)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H14N6/c1-4(2)5(10)6-7-8(13-3-12-7)15-9(11)14-6/h3-5H,10H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyHQKYBFBBKHHJIZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.59
Rot. Bonds2

About 6-(1-amino-2-methylpropyl)-7H-purin-2-amine

6-(1-amino-2-methylpropyl)-7H-purin-2-amine (PubChem CID 174749198) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(1-amino-2-methylpropyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(1-amino-2-methylpropyl)-7H-purin-2-amine
PubChem CID174749198
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name6-(1-amino-2-methylpropyl)-7H-purin-2-amine
SMILESCC(C)C(N)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H14N6/c1-4(2)5(10)6-7-8(13-3-12-7)15-9(11)14-6/h3-5H,10H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyHQKYBFBBKHHJIZ-UHFFFAOYSA-N
XLogP0.59
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpropyl)-7H-purin-2-amine?
The IUPAC name of 6-(1-amino-2-methylpropyl)-7H-purin-2-amine (CID 174749198) is 6-(1-amino-2-methylpropyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(1-amino-2-methylpropyl)-7H-purin-2-amine?
The canonical SMILES for 6-(1-amino-2-methylpropyl)-7H-purin-2-amine is CC(C)C(N)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-(1-amino-2-methylpropyl)-7H-purin-2-amine?
The InChIKey is HQKYBFBBKHHJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-4(2)5(10)6-7-8(13-3-12-7)15-9(11)14-6/h3-5H,10H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 6-(1-amino-2-methylpropyl)-7H-purin-2-amine?
6-(1-amino-2-methylpropyl)-7H-purin-2-amine has a molecular weight of 206.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpropyl)-7H-purin-2-amine is sourced from PubChem (CID 174749198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).