ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate

C16H28N6O2 — CID 112870224

IUPACethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(NCCN(C)C)nc(C)n2)CC1
InChIInChI=1S/C16H28N6O2/c1-5-24-16(23)22-10-8-21(9-11-22)15-12-14(18-13(2)19-15)17-6-7-20(3)4/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyXLZCOMYGKZARGH-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.04
Rot. Bonds6

About ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 112870224) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID112870224
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Nameethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(NCCN(C)C)nc(C)n2)CC1
InChIInChI=1S/C16H28N6O2/c1-5-24-16(23)22-10-8-21(9-11-22)15-12-14(18-13(2)19-15)17-6-7-20(3)4/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyXLZCOMYGKZARGH-UHFFFAOYSA-N
XLogP1.04
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-methyl-6-(pentylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112875252
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
ethyl 4-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 112887005
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
ethyl 4-[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109167814
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870514
ethyl 4-[6-(2,6-difluoroanilino)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112875319
N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870213
ethyl 4-[5-[3-(dimethylamino)propylamino]-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112945459
ethyl 4-[6-(butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112855122
ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109115372

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate (CID 112870224) is ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(NCCN(C)C)nc(C)n2)CC1.
What is the InChIKey of ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is XLZCOMYGKZARGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-5-24-16(23)22-10-8-21(9-11-22)15-12-14(18-13(2)19-15)17-6-7-20(3)4/h12H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 112870224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).