2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide

C11H17N5O — CID 65450346

IUPAC2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
SMILESCC1CN(CC(=O)Nc2ncccn2)CCN1
InChIInChI=1S/C11H17N5O/c1-9-7-16(6-5-12-9)8-10(17)15-11-13-3-2-4-14-11/h2-4,9,12H,5-8H2,1H3,(H,13,14,15,17)
InChIKeyLVRMOZKLFBHEHX-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.29
Rot. Bonds3

About 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide

2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide (PubChem CID 65450346) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
PubChem CID65450346
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
SMILESCC1CN(CC(=O)Nc2ncccn2)CCN1
InChIInChI=1S/C11H17N5O/c1-9-7-16(6-5-12-9)8-10(17)15-11-13-3-2-4-14-11/h2-4,9,12H,5-8H2,1H3,(H,13,14,15,17)
InChIKeyLVRMOZKLFBHEHX-UHFFFAOYSA-N
XLogP-0.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 79410787
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 60978048
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63720370
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide (CID 65450346) is 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide is CC1CN(CC(=O)Nc2ncccn2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide?
The InChIKey is LVRMOZKLFBHEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9-7-16(6-5-12-9)8-10(17)15-11-13-3-2-4-14-11/h2-4,9,12H,5-8H2,1H3,(H,13,14,15,17).
What are the key properties of 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide?
2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide has a molecular weight of 235.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 65450346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).