N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide

C16H20N4O2S — CID 124980906

IUPACN-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCN1CCO[C@H](c2nccc(CNC(=O)Cc3cccs3)n2)C1
InChIInChI=1S/C16H20N4O2S/c1-20-6-7-22-14(11-20)16-17-5-4-12(19-16)10-18-15(21)9-13-3-2-8-23-13/h2-5,8,14H,6-7,9-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyMMHGAUFFIUCAQB-AWEZNQCLSA-N
MW332.43 g/mol
LogP1.40
Rot. Bonds5

About N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide

N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 124980906) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID124980906
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCN1CCO[C@H](c2nccc(CNC(=O)Cc3cccs3)n2)C1
InChIInChI=1S/C16H20N4O2S/c1-20-6-7-22-14(11-20)16-17-5-4-12(19-16)10-18-15(21)9-13-3-2-8-23-13/h2-5,8,14H,6-7,9-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyMMHGAUFFIUCAQB-AWEZNQCLSA-N
XLogP1.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117907
N-[[2-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124950073
N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125019910
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
N-[[2-[(2R)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125015526
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117723
2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088437
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124954482
N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 124969220
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide (CID 124980906) is N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide is CN1CCO[C@H](c2nccc(CNC(=O)Cc3cccs3)n2)C1.
What is the InChIKey of N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is MMHGAUFFIUCAQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-20-6-7-22-14(11-20)16-17-5-4-12(19-16)10-18-15(21)9-13-3-2-8-23-13/h2-5,8,14H,6-7,9-11H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 332.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 124980906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).