6-amino-N-cyclohexylpurine-9-carboxamide

C12H16N6O — CID 53485239

IUPAC6-amino-N-cyclohexylpurine-9-carboxamide
SMILESNc1ncnc2c1ncn2C(=O)NC1CCCCC1
InChIInChI=1S/C12H16N6O/c13-10-9-11(15-6-14-10)18(7-16-9)12(19)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,19)(H2,13,14,15)
InChIKeyGVSQAWGQFMSFFK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.30
Rot. Bonds1

About 6-amino-N-cyclohexylpurine-9-carboxamide

6-amino-N-cyclohexylpurine-9-carboxamide (PubChem CID 53485239) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-amino-N-cyclohexylpurine-9-carboxamide.

Molecular Properties

Compound Name6-amino-N-cyclohexylpurine-9-carboxamide
PubChem CID53485239
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-amino-N-cyclohexylpurine-9-carboxamide
SMILESNc1ncnc2c1ncn2C(=O)NC1CCCCC1
InChIInChI=1S/C12H16N6O/c13-10-9-11(15-6-14-10)18(7-16-9)12(19)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,19)(H2,13,14,15)
InChIKeyGVSQAWGQFMSFFK-UHFFFAOYSA-N
XLogP1.30
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclohexylpurine-9-carboxamide?
The IUPAC name of 6-amino-N-cyclohexylpurine-9-carboxamide (CID 53485239) is 6-amino-N-cyclohexylpurine-9-carboxamide.
What is the SMILES notation for 6-amino-N-cyclohexylpurine-9-carboxamide?
The canonical SMILES for 6-amino-N-cyclohexylpurine-9-carboxamide is Nc1ncnc2c1ncn2C(=O)NC1CCCCC1.
What is the InChIKey of 6-amino-N-cyclohexylpurine-9-carboxamide?
The InChIKey is GVSQAWGQFMSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-10-9-11(15-6-14-10)18(7-16-9)12(19)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,19)(H2,13,14,15).
What are the key properties of 6-amino-N-cyclohexylpurine-9-carboxamide?
6-amino-N-cyclohexylpurine-9-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclohexylpurine-9-carboxamide is sourced from PubChem (CID 53485239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).