CCOC(=O)CC1=CN=C(N=C1Cl)C(C)(C)C
Nombre: ethyl 2-(2-tert-butyl-4-chloropyrimidin-5-yl)acetate
SMILES: CCOC(=O)CC1=CN=C(N=C1Cl)C(C)(C)C

Molecular Processing

Molecular formula
C12H17ClN2O2
Molecular weight
256.73
Exact mass
256.0979
XLogP
2.53
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
66.08

Supplementary Information

InChIKey: YECKKPDBCKTCCK-UHFFFAOYSA-N
Sinónimos
ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetateSCHEMBL9785530YECKKPDBCKTCCK-UHFFFAOYSA-NSBB101796AC-907/34129056ethyl 2-[2-(tert-butyl)-4-chloropyrimidin-5-yl]acetateethyl 2-[2-(1,1-dimethylethyl)-4-choropyrimidin-5-yl]acetate4-chloro-5-ethoxycarbonylmethyl-2-(2-methylprop-2-yl)pyrimidineethyl 2-[2-(1,1-dimethylethyl)-4-chloropyrimidin-5-yl]acetate
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