tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate

C12H19N3O2 — CID 143675559

IUPACtert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
SMILESCc1cc(C)nc(NCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8-6-9(2)15-11(14-8)13-7-10(16)17-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15)
InChIKeyWNKGJFBWUJTUBY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate

tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate (PubChem CID 143675559) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
PubChem CID143675559
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
SMILESCc1cc(C)nc(NCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8-6-9(2)15-11(14-8)13-7-10(16)17-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15)
InChIKeyWNKGJFBWUJTUBY-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate;4-iodo-2,6-dimethylpyridine
CID 70352199
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethylacetamide
CID 43420785
tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
CID 148647674
N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine
CID 115594943
2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 79256943
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108618
tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate
CID 65467828
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
CID 80944792
tert-butyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)acetate
CID 11097139
tert-butyl 2-[(6-methyl-4-propanimidoyl-3-pyridinyl)amino]acetate
CID 123430468
tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate (CID 143675559) is tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate is Cc1cc(C)nc(NCC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The InChIKey is WNKGJFBWUJTUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-6-9(2)15-11(14-8)13-7-10(16)17-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15).
What are the key properties of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 143675559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).