tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate

C12H18N2O4 — CID 133060482

IUPACtert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
SMILESCOc1cc(OC)nc(CC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O4/c1-12(2,3)18-11(15)6-8-13-9(16-4)7-10(14-8)17-5/h7H,6H2,1-5H3
InChIKeyBOFBJADNCHVTQY-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.38
Rot. Bonds4

About tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate

tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate (PubChem CID 133060482) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
PubChem CID133060482
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nametert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
SMILESCOc1cc(OC)nc(CC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O4/c1-12(2,3)18-11(15)6-8-13-9(16-4)7-10(14-8)17-5/h7H,6H2,1-5H3
InChIKeyBOFBJADNCHVTQY-UHFFFAOYSA-N
XLogP1.38
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
CID 115355584
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
tert-butyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]carbamate
CID 114518194
(3-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 23169126
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620
tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
CID 133059070
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-sulfanylpropan-2-one
CID 58139196
tert-butyl 2-(3-bromo-5-fluoro-2-methoxyphenyl)acetate
CID 155390184
2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate
CID 154080431
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 105483713
4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 159878985
tert-butyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanylphenyl]methylideneamino]oxyacetate
CID 5044067

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The IUPAC name of tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate (CID 133060482) is tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate is COc1cc(OC)nc(CC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The InChIKey is BOFBJADNCHVTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(2,3)18-11(15)6-8-13-9(16-4)7-10(14-8)17-5/h7H,6H2,1-5H3.
What are the key properties of tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate has a molecular weight of 254.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate is sourced from PubChem (CID 133060482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).