N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C12H19N5O — CID 27104437

IUPACN-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCNC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-13-11(18)10-16-6-8-17(9-7-16)12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3,(H,13,18)
InChIKeyRNKRGYJOPOLHGQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.27
Rot. Bonds4

About N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 27104437) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID27104437
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCNC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-13-11(18)10-16-6-8-17(9-7-16)12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3,(H,13,18)
InChIKeyRNKRGYJOPOLHGQ-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72917320
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
CID 56869498
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 156584420
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72884894
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380
2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 56875539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 27104437) is N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCNC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is RNKRGYJOPOLHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-13-11(18)10-16-6-8-17(9-7-16)12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3,(H,13,18).
What are the key properties of N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 249.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 27104437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).