N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide

C16H19N3O2S — CID 110117723

IUPACN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C16H19N3O2S/c20-15(8-13-4-3-7-22-13)17-9-12-10-18-16(19-11-12)14-5-1-2-6-21-14/h3-4,7,10-11,14H,1-2,5-6,8-9H2,(H,17,20)
InChIKeyCYAUHHLCCQLJLZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.64
Rot. Bonds5

About N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide

N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 110117723) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID110117723
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C16H19N3O2S/c20-15(8-13-4-3-7-22-13)17-9-12-10-18-16(19-11-12)14-5-1-2-6-21-14/h3-4,7,10-11,14H,1-2,5-6,8-9H2,(H,17,20)
InChIKeyCYAUHHLCCQLJLZ-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117907
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124950410
2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124968940
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117798
2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124978968
2-(4-methoxyphenoxy)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117732

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide (CID 110117723) is N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cnc(C2CCCCO2)nc1.
What is the InChIKey of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is CYAUHHLCCQLJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(8-13-4-3-7-22-13)17-9-12-10-18-16(19-11-12)14-5-1-2-6-21-14/h3-4,7,10-11,14H,1-2,5-6,8-9H2,(H,17,20).
What are the key properties of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110117723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).