methyl 6-(methylamino)-7H-purine-2-carboxylate

C8H9N5O2 — CID 22972477

IUPACmethyl 6-(methylamino)-7H-purine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc2nc[nH]c12
InChIInChI=1S/C8H9N5O2/c1-9-5-4-6(11-3-10-4)13-7(12-5)8(14)15-2/h3H,1-2H3,(H2,9,10,11,12,13)
InChIKeyZLGGLWDNOWJCGO-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.18
Rot. Bonds2

About methyl 6-(methylamino)-7H-purine-2-carboxylate

methyl 6-(methylamino)-7H-purine-2-carboxylate (PubChem CID 22972477) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is methyl 6-(methylamino)-7H-purine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylamino)-7H-purine-2-carboxylate
PubChem CID22972477
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Namemethyl 6-(methylamino)-7H-purine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc2nc[nH]c12
InChIInChI=1S/C8H9N5O2/c1-9-5-4-6(11-3-10-4)13-7(12-5)8(14)15-2/h3H,1-2H3,(H2,9,10,11,12,13)
InChIKeyZLGGLWDNOWJCGO-UHFFFAOYSA-N
XLogP0.18
TPSA92.79 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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-(methylamino)-7H-purine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Morpholin-4-YL-9H-purine
CID 76098
Adenine,N6-3-methoxypropyl
CID 2155044
2-methoxy-7H-purin-6-amine
CID 5194506
N6-(2-Methoxyethyl)-9H-purine-2,6-diamine
CID 39377580
9-isopropyl-6-(2-methoxy-ethylamino)-9H-purine-2-carboxylic acid isopropylamide
CID 44421841
Ethyl adenine-9-acetate
CID 688302
N-(2-methoxyethyl)-9H-purin-6-amine
CID 2058777
N(6)-carbamoylmethyladenine
CID 14778352
ethyl 2-((9H-purin-6-yl)amino)acetate
CID 519183
N-9H-purin-6-ylvaline
CID 4136995
2-[methyl(7H-purin-6-yl)amino]ethanol
CID 4179438
2-[(2-hydroxyethyl)(9H-purin-6-yl)amino]ethan-1-ol
CID 522083

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylamino)-7H-purine-2-carboxylate?
The IUPAC name of methyl 6-(methylamino)-7H-purine-2-carboxylate (CID 22972477) is methyl 6-(methylamino)-7H-purine-2-carboxylate.
What is the SMILES notation for methyl 6-(methylamino)-7H-purine-2-carboxylate?
The canonical SMILES for methyl 6-(methylamino)-7H-purine-2-carboxylate is CNc1nc(C(=O)OC)nc2nc[nH]c12.
What is the InChIKey of methyl 6-(methylamino)-7H-purine-2-carboxylate?
The InChIKey is ZLGGLWDNOWJCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-9-5-4-6(11-3-10-4)13-7(12-5)8(14)15-2/h3H,1-2H3,(H2,9,10,11,12,13).
What are the key properties of methyl 6-(methylamino)-7H-purine-2-carboxylate?
methyl 6-(methylamino)-7H-purine-2-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylamino)-7H-purine-2-carboxylate is sourced from PubChem (CID 22972477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).