N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide

C13H20N4O — CID 77087153

IUPACN-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nccc(CN2CCC(NC(C)=O)C2)n1
InChIInChI=1S/C13H20N4O/c1-3-13-14-6-4-11(16-13)8-17-7-5-12(9-17)15-10(2)18/h4,6,12H,3,5,7-9H2,1-2H3,(H,15,18)
InChIKeyRKTKAMCIUUUJBZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds4

About N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide

N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 77087153) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID77087153
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nccc(CN2CCC(NC(C)=O)C2)n1
InChIInChI=1S/C13H20N4O/c1-3-13-14-6-4-11(16-13)8-17-7-5-12(9-17)15-10(2)18/h4,6,12H,3,5,7-9H2,1-2H3,(H,15,18)
InChIKeyRKTKAMCIUUUJBZ-UHFFFAOYSA-N
XLogP0.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide (CID 77087153) is N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide is CCc1nccc(CN2CCC(NC(C)=O)C2)n1.
What is the InChIKey of N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RKTKAMCIUUUJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-13-14-6-4-11(16-13)8-17-7-5-12(9-17)15-10(2)18/h4,6,12H,3,5,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 77087153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).