methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate

C17H19ClN4O5 — CID 176737507

IUPACmethyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate
SMILESCOC(=O)COc1c(Cl)nc(N2CCOCC2)nc1OCc1cccnc1
InChIInChI=1S/C17H19ClN4O5/c1-24-13(23)11-26-14-15(18)20-17(22-5-7-25-8-6-22)21-16(14)27-10-12-3-2-4-19-9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyASPPTWKRRSHBSM-UHFFFAOYSA-N
MW394.82 g/mol
LogP1.49
Rot. Bonds7

About methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate

methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate (PubChem CID 176737507) has the molecular formula C17H19ClN4O5 and a molecular weight of 394.82 g/mol. Its IUPAC name is methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate
PubChem CID176737507
Molecular FormulaC17H19ClN4O5
Molecular Weight394.82 g/mol
Exact Mass394.10
IUPAC Namemethyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate
SMILESCOC(=O)COc1c(Cl)nc(N2CCOCC2)nc1OCc1cccnc1
InChIInChI=1S/C17H19ClN4O5/c1-24-13(23)11-26-14-15(18)20-17(22-5-7-25-8-6-22)21-16(14)27-10-12-3-2-4-19-9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyASPPTWKRRSHBSM-UHFFFAOYSA-N
XLogP1.49
TPSA95.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate with MolForge

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Related Compounds

4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 171982985
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
methyl 2-[[[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyacetate
CID 91700235
4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 120521755
6-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 43724741
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
CID 666373
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30841499
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate?
The IUPAC name of methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate (CID 176737507) is methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate.
What is the SMILES notation for methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate?
The canonical SMILES for methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate is COC(=O)COc1c(Cl)nc(N2CCOCC2)nc1OCc1cccnc1.
What is the InChIKey of methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate?
The InChIKey is ASPPTWKRRSHBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O5/c1-24-13(23)11-26-14-15(18)20-17(22-5-7-25-8-6-22)21-16(14)27-10-12-3-2-4-19-9-12/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate?
methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate has a molecular weight of 394.82 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate is sourced from PubChem (CID 176737507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).