N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide

C15H25N5O — CID 77084591

IUPACN-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccnc(CC)n2)CC1
InChIInChI=1S/C15H25N5O/c1-3-14-17-6-5-13(18-14)11-19-7-9-20(10-8-19)12-15(21)16-4-2/h5-6H,3-4,7-12H2,1-2H3,(H,16,21)
InChIKeyAGIQOIWDAZMXST-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.29
Rot. Bonds6

About N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 77084591) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID77084591
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccnc(CC)n2)CC1
InChIInChI=1S/C15H25N5O/c1-3-14-17-6-5-13(18-14)11-19-7-9-20(10-8-19)12-15(21)16-4-2/h5-6H,3-4,7-12H2,1-2H3,(H,16,21)
InChIKeyAGIQOIWDAZMXST-UHFFFAOYSA-N
XLogP0.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide (CID 77084591) is N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(Cc2ccnc(CC)n2)CC1.
What is the InChIKey of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is AGIQOIWDAZMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-14-17-6-5-13(18-14)11-19-7-9-20(10-8-19)12-15(21)16-4-2/h5-6H,3-4,7-12H2,1-2H3,(H,16,21).
What are the key properties of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 77084591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).