methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate

C8H11N3O2 — CID 62786207

IUPACmethyl 2-[(2-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1ccnc(C)n1
InChIInChI=1S/C8H11N3O2/c1-6-9-4-3-7(11-6)10-5-8(12)13-2/h3-4H,5H2,1-2H3,(H,9,10,11)
InChIKeySFOCMJGOZCVKQY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.37
Rot. Bonds3

About methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate

methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate (PubChem CID 62786207) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyrimidin-4-yl)amino]acetate
PubChem CID62786207
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 2-[(2-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1ccnc(C)n1
InChIInChI=1S/C8H11N3O2/c1-6-9-4-3-7(11-6)10-5-8(12)13-2/h3-4H,5H2,1-2H3,(H,9,10,11)
InChIKeySFOCMJGOZCVKQY-UHFFFAOYSA-N
XLogP0.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate (CID 62786207) is methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate is COC(=O)CNc1ccnc(C)n1.
What is the InChIKey of methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate?
The InChIKey is SFOCMJGOZCVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-9-4-3-7(11-6)10-5-8(12)13-2/h3-4H,5H2,1-2H3,(H,9,10,11).
What are the key properties of methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate?
methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate has a molecular weight of 181.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 62786207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).