N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide

C12H19N5O — CID 43130558

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide
SMILESCc1cc(C)nc(NC(=O)CN2CCNCC2)n1
InChIInChI=1S/C12H19N5O/c1-9-7-10(2)15-12(14-9)16-11(18)8-17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18)
InChIKeyONENYIDTXQLADW-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.06
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 43130558) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide
PubChem CID43130558
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide
SMILESCc1cc(C)nc(NC(=O)CN2CCNCC2)n1
InChIInChI=1S/C12H19N5O/c1-9-7-10(2)15-12(14-9)16-11(18)8-17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18)
InChIKeyONENYIDTXQLADW-UHFFFAOYSA-N
XLogP-0.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
CID 17221317
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(5-ethyl-1H-pyrazol-3-yl)-2-piperazin-1-ylacetamide
CID 113433530
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(4,6-dimethylpyrimidin-2-yl)-2-piperidin-4-yloxyacetamide
CID 55250898
N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide
CID 65489482
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide
CID 60850378
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide (CID 43130558) is N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide is Cc1cc(C)nc(NC(=O)CN2CCNCC2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is ONENYIDTXQLADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9-7-10(2)15-12(14-9)16-11(18)8-17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 249.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43130558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).