ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate

C11H16ClN3O3 — CID 80751895

IUPACethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1nc(OC)ncc1Cl
InChIInChI=1S/C11H16ClN3O3/c1-4-15(7-9(16)18-5-2)10-8(12)6-13-11(14-10)17-3/h6H,4-5,7H2,1-3H3
InChIKeyJVKYWVFRZQVGOR-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.53
Rot. Bonds6

About ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate

ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate (PubChem CID 80751895) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate
PubChem CID80751895
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Nameethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1nc(OC)ncc1Cl
InChIInChI=1S/C11H16ClN3O3/c1-4-15(7-9(16)18-5-2)10-8(12)6-13-11(14-10)17-3/h6H,4-5,7H2,1-3H3
InChIKeyJVKYWVFRZQVGOR-UHFFFAOYSA-N
XLogP1.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine
CID 80753181
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
CID 80752006
2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 80758602
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 79632500
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79633316
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate
CID 62004942
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 80758708
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
CID 114838168
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate (CID 80751895) is ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate is CCOC(=O)CN(CC)c1nc(OC)ncc1Cl.
What is the InChIKey of ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate?
The InChIKey is JVKYWVFRZQVGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-4-15(7-9(16)18-5-2)10-8(12)6-13-11(14-10)17-3/h6H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate?
ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate has a molecular weight of 273.72 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate is sourced from PubChem (CID 80751895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).