1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

C13H21N5O — CID 70703900

IUPAC1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1
InChIInChI=1S/C13H21N5O/c1-10-14-12(16(3)4)9-13(15-10)18-7-5-17(6-8-18)11(2)19/h9H,5-8H2,1-4H3
InChIKeyIOOOCHQHCBRHHV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.52
Rot. Bonds2

About 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 70703900) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID70703900
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1
InChIInChI=1S/C13H21N5O/c1-10-14-12(16(3)4)9-13(15-10)18-7-5-17(6-8-18)11(2)19/h9H,5-8H2,1-4H3
InChIKeyIOOOCHQHCBRHHV-UHFFFAOYSA-N
XLogP0.52
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 70703900) is 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1.
What is the InChIKey of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is IOOOCHQHCBRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-14-12(16(3)4)9-13(15-10)18-7-5-17(6-8-18)11(2)19/h9H,5-8H2,1-4H3.
What are the key properties of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70703900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).