N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide

C13H20N4O3 — CID 163350806

IUPACN-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCC(Oc2ncc(OC)cn2)C1
InChIInChI=1S/C13H20N4O3/c1-3-14-12(18)9-17-5-4-10(8-17)20-13-15-6-11(19-2)7-16-13/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyKNCOYCSHNPPTHD-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.07
Rot. Bonds6

About N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide

N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide (PubChem CID 163350806) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
PubChem CID163350806
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCC(Oc2ncc(OC)cn2)C1
InChIInChI=1S/C13H20N4O3/c1-3-14-12(18)9-17-5-4-10(8-17)20-13-15-6-11(19-2)7-16-13/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyKNCOYCSHNPPTHD-UHFFFAOYSA-N
XLogP0.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350759
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350899
2-[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 71923204
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163350527
N-methyl-2-(3-pyrimidin-4-yloxypyrrolidin-1-yl)acetamide
CID 175996465
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
N-tert-butyl-2-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]acetamide
CID 99631729
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 154580773

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide (CID 163350806) is N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide is CCNC(=O)CN1CCC(Oc2ncc(OC)cn2)C1.
What is the InChIKey of N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The InChIKey is KNCOYCSHNPPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-14-12(18)9-17-5-4-10(8-17)20-13-15-6-11(19-2)7-16-13/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,18).
What are the key properties of N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 163350806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).