ethyl 6-amino-2-propyl-7H-purine-8-carboxylate

C11H15N5O2 — CID 174695877

IUPACethyl 6-amino-2-propyl-7H-purine-8-carboxylate
SMILESCCCc1nc(N)c2[nH]c(C(=O)OCC)nc2n1
InChIInChI=1S/C11H15N5O2/c1-3-5-6-13-8(12)7-9(14-6)16-10(15-7)11(17)18-4-2/h3-5H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyQHOJGVWCAMZDMU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.06
Rot. Bonds4

About ethyl 6-amino-2-propyl-7H-purine-8-carboxylate

ethyl 6-amino-2-propyl-7H-purine-8-carboxylate (PubChem CID 174695877) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 6-amino-2-propyl-7H-purine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-2-propyl-7H-purine-8-carboxylate
PubChem CID174695877
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Nameethyl 6-amino-2-propyl-7H-purine-8-carboxylate
SMILESCCCc1nc(N)c2[nH]c(C(=O)OCC)nc2n1
InChIInChI=1S/C11H15N5O2/c1-3-5-6-13-8(12)7-9(14-6)16-10(15-7)11(17)18-4-2/h3-5H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyQHOJGVWCAMZDMU-UHFFFAOYSA-N
XLogP1.06
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-2-propyl-7H-purine-8-carboxylate?
The IUPAC name of ethyl 6-amino-2-propyl-7H-purine-8-carboxylate (CID 174695877) is ethyl 6-amino-2-propyl-7H-purine-8-carboxylate.
What is the SMILES notation for ethyl 6-amino-2-propyl-7H-purine-8-carboxylate?
The canonical SMILES for ethyl 6-amino-2-propyl-7H-purine-8-carboxylate is CCCc1nc(N)c2[nH]c(C(=O)OCC)nc2n1.
What is the InChIKey of ethyl 6-amino-2-propyl-7H-purine-8-carboxylate?
The InChIKey is QHOJGVWCAMZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-5-6-13-8(12)7-9(14-6)16-10(15-7)11(17)18-4-2/h3-5H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of ethyl 6-amino-2-propyl-7H-purine-8-carboxylate?
ethyl 6-amino-2-propyl-7H-purine-8-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-2-propyl-7H-purine-8-carboxylate is sourced from PubChem (CID 174695877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).