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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Related Compounds

ethyl 7-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 63723819
ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 116647711
diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
CID 67024452
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 6-(benzylamino)-7H-purine-8-carboxylate
CID 89439448
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
ethyl 4-amino-6-methyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647749
ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate
CID 63356019
(6-amino-8-propyl-7H-purin-2-yl)oxymethylphosphonic acid
CID 90425555
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 10584131
2-(3-methylbutyl)-7H-purine-6,8-diamine
CID 174749238

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).