methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate

C10H13N5O3 — CID 11357172

IUPACmethyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncnc2c1[nH]c(=O)n2C
InChIInChI=1S/C10H13N5O3/c1-14(4-6(16)18-3)8-7-9(12-5-11-8)15(2)10(17)13-7/h5H,4H2,1-3H3,(H,13,17)
InChIKeyRTTBMMJEDVTOQH-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.73
Rot. Bonds3

About methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate

methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate (PubChem CID 11357172) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate
PubChem CID11357172
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Namemethyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncnc2c1[nH]c(=O)n2C
InChIInChI=1S/C10H13N5O3/c1-14(4-6(16)18-3)8-7-9(12-5-11-8)15(2)10(17)13-7/h5H,4H2,1-3H3,(H,13,17)
InChIKeyRTTBMMJEDVTOQH-UHFFFAOYSA-N
XLogP-0.73
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate
CID 105370376
ethane;6-(ethylamino)-9-methyl-7H-purin-8-one
CID 169242826
methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687114
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007498
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
methyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 62683928
6-[2-(3,4-dimethoxyphenyl)ethylamino]-9-methyl-7H-purin-8-one
CID 163344791
6-[(4-chlorophenyl)methylamino]-9-methyl-7H-purin-8-one
CID 163348654
6-(dimethylamino)-9-propan-2-yl-7H-purin-8-one;molecular hydrogen
CID 176964221
methyl 2-[methyl-(6-oxo-1H-pyridin-2-yl)amino]acetate
CID 168942211
methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
CID 79734650

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate (CID 11357172) is methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate is COC(=O)CN(C)c1ncnc2c1[nH]c(=O)n2C.
What is the InChIKey of methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate?
The InChIKey is RTTBMMJEDVTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-14(4-6(16)18-3)8-7-9(12-5-11-8)15(2)10(17)13-7/h5H,4H2,1-3H3,(H,13,17).
What are the key properties of methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate?
methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate has a molecular weight of 251.25 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate is sourced from PubChem (CID 11357172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).