2-tert-butyl-7H-purin-6-amine

C9H13N5 — CID 21493394

IUPAC2-tert-butyl-7H-purin-6-amine
SMILESCC(C)(C)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C9H13N5/c1-9(2,3)8-13-6(10)5-7(14-8)12-4-11-5/h4H,1-3H3,(H3,10,11,12,13,14)
InChIKeyFIMMIPHJWYJVLD-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.23
Rot. Bonds

About 2-tert-butyl-7H-purin-6-amine

2-tert-butyl-7H-purin-6-amine (PubChem CID 21493394) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-tert-butyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-tert-butyl-7H-purin-6-amine
PubChem CID21493394
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-tert-butyl-7H-purin-6-amine
SMILESCC(C)(C)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C9H13N5/c1-9(2,3)8-13-6(10)5-7(14-8)12-4-11-5/h4H,1-3H3,(H3,10,11,12,13,14)
InChIKeyFIMMIPHJWYJVLD-UHFFFAOYSA-N
XLogP1.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7H-purin-6-amine?
The IUPAC name of 2-tert-butyl-7H-purin-6-amine (CID 21493394) is 2-tert-butyl-7H-purin-6-amine.
What is the SMILES notation for 2-tert-butyl-7H-purin-6-amine?
The canonical SMILES for 2-tert-butyl-7H-purin-6-amine is CC(C)(C)c1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 2-tert-butyl-7H-purin-6-amine?
The InChIKey is FIMMIPHJWYJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-9(2,3)8-13-6(10)5-7(14-8)12-4-11-5/h4H,1-3H3,(H3,10,11,12,13,14).
What are the key properties of 2-tert-butyl-7H-purin-6-amine?
2-tert-butyl-7H-purin-6-amine has a molecular weight of 191.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7H-purin-6-amine is sourced from PubChem (CID 21493394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).