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

C7H7N5O2 — CID 45089293

IUPACmethyl 6-amino-7H-purine-2-carboxylate
SMILESCOC(=O)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C7H7N5O2/c1-14-7(13)6-11-4(8)3-5(12-6)10-2-9-3/h2H,1H3,(H3,8,9,10,11,12)
InChIKeyGCOKIACILXQMEF-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.28
Rot. Bonds1

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

methyl 6-amino-7H-purine-2-carboxylate (PubChem CID 45089293) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is methyl 6-amino-7H-purine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-7H-purine-2-carboxylate
PubChem CID45089293
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Namemethyl 6-amino-7H-purine-2-carboxylate
SMILESCOC(=O)c1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C7H7N5O2/c1-14-7(13)6-11-4(8)3-5(12-6)10-2-9-3/h2H,1H3,(H3,8,9,10,11,12)
InChIKeyGCOKIACILXQMEF-UHFFFAOYSA-N
XLogP-0.28
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-amino-7H-purine-2-carboxylate
CID 131259142
tert-butyl 6-amino-7H-purine-2-carboxylate
CID 135336272
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate
CID 10109871
(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
CID 140856787
2-ethyl-7H-purin-6-amine
CID 19795383
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
methyl 6-[[1-(cyanomethyl)cyclopropyl]methylamino]-7H-purine-2-carboxylate
CID 167839730
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
CID 5200989
2-dimethylphosphoryl-7H-purin-6-amine
CID 170722670
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
3-amino-N-(6-amino-7H-purin-2-yl)propanamide
CID 140616343

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-7H-purine-2-carboxylate?
The IUPAC name of methyl 6-amino-7H-purine-2-carboxylate (CID 45089293) is methyl 6-amino-7H-purine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-7H-purine-2-carboxylate?
The canonical SMILES for methyl 6-amino-7H-purine-2-carboxylate is COC(=O)c1nc(N)c2[nH]cnc2n1.
What is the InChIKey of methyl 6-amino-7H-purine-2-carboxylate?
The InChIKey is GCOKIACILXQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-14-7(13)6-11-4(8)3-5(12-6)10-2-9-3/h2H,1H3,(H3,8,9,10,11,12).
What are the key properties of methyl 6-amino-7H-purine-2-carboxylate?
methyl 6-amino-7H-purine-2-carboxylate has a molecular weight of 193.17 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-7H-purine-2-carboxylate is sourced from PubChem (CID 45089293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).