ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate

C17H20ClN3O3 — CID 13413748

IUPACethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate
SMILESCCOC(=O)COc1nc(Cl)cc(N(C)c2cccc(C)c2C)n1
InChIInChI=1S/C17H20ClN3O3/c1-5-23-16(22)10-24-17-19-14(18)9-15(20-17)21(4)13-8-6-7-11(2)12(13)3/h6-9H,5,10H2,1-4H3
InChIKeyANXJDBSNSMGLFK-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.46
Rot. Bonds6

About ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate

ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate (PubChem CID 13413748) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate
PubChem CID13413748
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Nameethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate
SMILESCCOC(=O)COc1nc(Cl)cc(N(C)c2cccc(C)c2C)n1
InChIInChI=1S/C17H20ClN3O3/c1-5-23-16(22)10-24-17-19-14(18)9-15(20-17)21(4)13-8-6-7-11(2)12(13)3/h6-9H,5,10H2,1-4H3
InChIKeyANXJDBSNSMGLFK-UHFFFAOYSA-N
XLogP3.46
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
ethyl 2-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
CID 1354710
2-[4-chloro-6-(2,3-dimethyl-N-propan-2-ylanilino)pyrimidin-2-yl]sulfanylacetic acid
CID 155530735
ethyl 2-[6-chloro-2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]oxyacetate
CID 58134196
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
6-chloro-N-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl]oxy]acetate
CID 15471713
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate
CID 57128479
2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
CID 83077155

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate?
The IUPAC name of ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate (CID 13413748) is ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate?
The canonical SMILES for ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate is CCOC(=O)COc1nc(Cl)cc(N(C)c2cccc(C)c2C)n1.
What is the InChIKey of ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate?
The InChIKey is ANXJDBSNSMGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-5-23-16(22)10-24-17-19-14(18)9-15(20-17)21(4)13-8-6-7-11(2)12(13)3/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate?
ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate has a molecular weight of 349.82 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetate is sourced from PubChem (CID 13413748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).