ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate

C13H18ClN3O4 — CID 126635968

IUPACethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate
SMILESCCOC(=O)COc1c(Cl)nc(C)nc1N1CCOCC1
InChIInChI=1S/C13H18ClN3O4/c1-3-20-10(18)8-21-11-12(14)15-9(2)16-13(11)17-4-6-19-7-5-17/h3-8H2,1-2H3
InChIKeyRJDJZKRJDUSEKZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.22
Rot. Bonds5

About ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate

ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate (PubChem CID 126635968) has the molecular formula C13H18ClN3O4 and a molecular weight of 315.76 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate
PubChem CID126635968
Molecular FormulaC13H18ClN3O4
Molecular Weight315.76 g/mol
Exact Mass315.10
IUPAC Nameethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate
SMILESCCOC(=O)COc1c(Cl)nc(C)nc1N1CCOCC1
InChIInChI=1S/C13H18ClN3O4/c1-3-20-10(18)8-21-11-12(14)15-9(2)16-13(11)17-4-6-19-7-5-17/h3-8H2,1-2H3
InChIKeyRJDJZKRJDUSEKZ-UHFFFAOYSA-N
XLogP1.22
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol
CID 86711745
ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
ethyl 2-[4-[4-(2-pyridin-2-ylquinazolin-4-yl)piperazin-1-yl]phenoxy]acetate
CID 71664053
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
4-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 166139873
ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
CID 2816171
ethyl 3-(4-morpholin-4-yl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropanoate
CID 5260903
ethyl 2-(3,5-difluorophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295376

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate?
The IUPAC name of ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate (CID 126635968) is ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate?
The canonical SMILES for ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate is CCOC(=O)COc1c(Cl)nc(C)nc1N1CCOCC1.
What is the InChIKey of ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate?
The InChIKey is RJDJZKRJDUSEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4/c1-3-20-10(18)8-21-11-12(14)15-9(2)16-13(11)17-4-6-19-7-5-17/h3-8H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate?
ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate has a molecular weight of 315.76 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate is sourced from PubChem (CID 126635968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).