methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate

C12H20N4O2 — CID 80981003

IUPACmethyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C12H20N4O2/c1-7-9(13)15-11(12(2,3)4)16-10(7)14-6-8(17)18-5/h6H2,1-5H3,(H3,13,14,15,16)
InChIKeyXUUMWSBUKGLIAZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.25
Rot. Bonds3

About methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate

methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate (PubChem CID 80981003) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
PubChem CID80981003
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Namemethyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C12H20N4O2/c1-7-9(13)15-11(12(2,3)4)16-10(7)14-6-8(17)18-5/h6H2,1-5H3,(H3,13,14,15,16)
InChIKeyXUUMWSBUKGLIAZ-UHFFFAOYSA-N
XLogP1.25
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate with MolForge

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Related Compounds

methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80982844
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 80982285
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198680
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80981514
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258482
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 80970188

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate (CID 80981003) is methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate is COC(=O)CNc1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate?
The InChIKey is XUUMWSBUKGLIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7-9(13)15-11(12(2,3)4)16-10(7)14-6-8(17)18-5/h6H2,1-5H3,(H3,13,14,15,16).
What are the key properties of methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate?
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate has a molecular weight of 252.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 80981003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).