2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide

C16H20N4O3S — CID 5009855

IUPAC2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccs1)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C16H20N4O3S/c21-16(19-7-4-14-3-1-10-24-14)20-8-9-22-13(11-20)12-23-15-17-5-2-6-18-15/h1-3,5-6,10,13H,4,7-9,11-12H2,(H,19,21)
InChIKeyLKXQJCYMALEONI-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.57
Rot. Bonds6

About 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide

2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide (PubChem CID 5009855) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
PubChem CID5009855
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccs1)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C16H20N4O3S/c21-16(19-7-4-14-3-1-10-24-14)20-8-9-22-13(11-20)12-23-15-17-5-2-6-18-15/h1-3,5-6,10,13H,4,7-9,11-12H2,(H,19,21)
InChIKeyLKXQJCYMALEONI-UHFFFAOYSA-N
XLogP1.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5103891
2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 3783712
N-cyclohexyl-2-(pyrimidin-2-yloxymethyl)morpholine-4-carboxamide
CID 3838021
4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86915013
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
N-(4-methyl-2-pyridinyl)-4-oxo-4-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]butanamide
CID 74225435
(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 97282691
2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
CID 3667814
2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone
CID 74228366
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one
CID 74225543

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide (CID 5009855) is 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide is O=C(NCCc1cccs1)N1CCOC(COc2ncccn2)C1.
What is the InChIKey of 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The InChIKey is LKXQJCYMALEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-16(19-7-4-14-3-1-10-24-14)20-8-9-22-13(11-20)12-23-15-17-5-2-6-18-15/h1-3,5-6,10,13H,4,7-9,11-12H2,(H,19,21).
What are the key properties of 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 5009855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).