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

C15H17N3O2S — CID 110117907

IUPACN-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccnc(C2CCCO2)n1
InChIInChI=1S/C15H17N3O2S/c19-14(9-12-3-2-8-21-12)17-10-11-5-6-16-15(18-11)13-4-1-7-20-13/h2-3,5-6,8,13H,1,4,7,9-10H2,(H,17,19)
InChIKeyTYYIWZKQQGAAAJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.25
Rot. Bonds5

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

N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 110117907) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID110117907
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccnc(C2CCCO2)n1
InChIInChI=1S/C15H17N3O2S/c19-14(9-12-3-2-8-21-12)17-10-11-5-6-16-15(18-11)13-4-1-7-20-13/h2-3,5-6,8,13H,1,4,7,9-10H2,(H,17,19)
InChIKeyTYYIWZKQQGAAAJ-UHFFFAOYSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 124980906
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117723
N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 124949037
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125025864
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117974
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117996

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide (CID 110117907) is N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1ccnc(C2CCCO2)n1.
What is the InChIKey of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is TYYIWZKQQGAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14(9-12-3-2-8-21-12)17-10-11-5-6-16-15(18-11)13-4-1-7-20-13/h2-3,5-6,8,13H,1,4,7,9-10H2,(H,17,19).
What are the key properties of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 303.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110117907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).