tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate

C12H19N3O2 — CID 61016078

IUPACtert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
SMILESCc1nccc(CNCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-9-14-6-5-10(15-9)7-13-8-11(16)17-12(2,3)4/h5-6,13H,7-8H2,1-4H3
InChIKeyAEFGHLXIOBHCTP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds4

About tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate

tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate (PubChem CID 61016078) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
PubChem CID61016078
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
SMILESCc1nccc(CNCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-9-14-6-5-10(15-9)7-13-8-11(16)17-12(2,3)4/h5-6,13H,7-8H2,1-4H3
InChIKeyAEFGHLXIOBHCTP-UHFFFAOYSA-N
XLogP1.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
CID 107246776
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107242512
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate
CID 78994252
tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate
CID 174719309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate (CID 61016078) is tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate is Cc1nccc(CNCC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate?
The InChIKey is AEFGHLXIOBHCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-14-6-5-10(15-9)7-13-8-11(16)17-12(2,3)4/h5-6,13H,7-8H2,1-4H3.
What are the key properties of tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate?
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate is sourced from PubChem (CID 61016078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).