methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate

C13H22N4O2 — CID 115266860

IUPACmethyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(NCC(C)(C)C)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-9-16-10(14-7-12(18)19-5)6-11(17-9)15-8-13(2,3)4/h6H,7-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyGXPZUQGAPBECRM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds5

About methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate

methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate (PubChem CID 115266860) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate
PubChem CID115266860
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(NCC(C)(C)C)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-9-16-10(14-7-12(18)19-5)6-11(17-9)15-8-13(2,3)4/h6H,7-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyGXPZUQGAPBECRM-UHFFFAOYSA-N
XLogP1.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266861
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427635
methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate
CID 131213825
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
CID 80944792
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80960937
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate (CID 115266860) is methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(NCC(C)(C)C)nc(C)n1.
What is the InChIKey of methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate?
The InChIKey is GXPZUQGAPBECRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-16-10(14-7-12(18)19-5)6-11(17-9)15-8-13(2,3)4/h6H,7-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate?
methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate has a molecular weight of 266.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 115266860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).