N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride

C12H20ClN5O3 — CID 17221317

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
SMILESCOc1cc(OC)nc(NC(=O)CN2CCNCC2)n1.Cl
InChIInChI=1S/C12H19N5O3.ClH/c1-19-10-7-11(20-2)16-12(15-10)14-9(18)8-17-5-3-13-4-6-17;/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18);1H
InChIKeyJQTFWGXZLMNUSP-UHFFFAOYSA-N
MW317.78 g/mol
LogP-0.24
Rot. Bonds5

About N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride

N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride (PubChem CID 17221317) has the molecular formula C12H20ClN5O3 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
PubChem CID17221317
Molecular FormulaC12H20ClN5O3
Molecular Weight317.78 g/mol
Exact Mass317.13
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
SMILESCOc1cc(OC)nc(NC(=O)CN2CCNCC2)n1.Cl
InChIInChI=1S/C12H19N5O3.ClH/c1-19-10-7-11(20-2)16-12(15-10)14-9(18)8-17-5-3-13-4-6-17;/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18);1H
InChIKeyJQTFWGXZLMNUSP-UHFFFAOYSA-N
XLogP-0.24
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide
CID 43130558
N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17496713
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62837342
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583
N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107600136
2-(1,4-diazepan-1-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119906303
2-(1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 119906331
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
2-piperazin-1-yl-N-(thiadiazol-5-yl)acetamide
CID 114912326

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride (CID 17221317) is N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride is COc1cc(OC)nc(NC(=O)CN2CCNCC2)n1.Cl.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride?
The InChIKey is JQTFWGXZLMNUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3.ClH/c1-19-10-7-11(20-2)16-12(15-10)14-9(18)8-17-5-3-13-4-6-17;/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18);1H.
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride?
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride has a molecular weight of 317.78 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 17221317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).