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

C8H9N5O2 — CID 131259142

IUPACethyl 6-amino-7H-purine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C8H9N5O2/c1-2-15-8(14)7-12-5(9)4-6(13-7)11-3-10-4/h3H,2H2,1H3,(H3,9,10,11,12,13)
InChIKeyPDYSASCCSDYUCX-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.11
Rot. Bonds2

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

ethyl 6-amino-7H-purine-2-carboxylate (PubChem CID 131259142) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl 6-amino-7H-purine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-7H-purine-2-carboxylate
PubChem CID131259142
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Nameethyl 6-amino-7H-purine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C8H9N5O2/c1-2-15-8(14)7-12-5(9)4-6(13-7)11-3-10-4/h3H,2H2,1H3,(H3,9,10,11,12,13)
InChIKeyPDYSASCCSDYUCX-UHFFFAOYSA-N
XLogP0.11
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-amino-7H-purine-2-carboxylate
CID 45089293
tert-butyl 6-amino-7H-purine-2-carboxylate
CID 135336272
2-ethyl-7H-purin-6-amine
CID 19795383
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
CID 5200989
(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
CID 140856787
1-(6-amino-7H-purin-2-yl)propoxymethylphosphonic acid
CID 68824156
2-amino-1-chloro-7H-purin-6-one;ethyl acetate
CID 87238739
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-dimethylphosphoryl-7H-purin-6-amine
CID 170722670
ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate
CID 137201360

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-7H-purine-2-carboxylate?
The IUPAC name of ethyl 6-amino-7H-purine-2-carboxylate (CID 131259142) is ethyl 6-amino-7H-purine-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-7H-purine-2-carboxylate?
The canonical SMILES for ethyl 6-amino-7H-purine-2-carboxylate is CCOC(=O)c1nc(N)c2[nH]cnc2n1.
What is the InChIKey of ethyl 6-amino-7H-purine-2-carboxylate?
The InChIKey is PDYSASCCSDYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-15-8(14)7-12-5(9)4-6(13-7)11-3-10-4/h3H,2H2,1H3,(H3,9,10,11,12,13).
What are the key properties of ethyl 6-amino-7H-purine-2-carboxylate?
ethyl 6-amino-7H-purine-2-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-7H-purine-2-carboxylate is sourced from PubChem (CID 131259142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).