4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

C13H21N5O — CID 80942182

IUPAC4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCCNc1cc(N2CCN(C)C(=O)C2)nc(CC)n1
InChIInChI=1S/C13H21N5O/c1-4-10-15-11(14-5-2)8-12(16-10)18-7-6-17(3)13(19)9-18/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyBXGPMNKMNZRJLX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.75
Rot. Bonds4

About 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 80942182) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID80942182
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCCNc1cc(N2CCN(C)C(=O)C2)nc(CC)n1
InChIInChI=1S/C13H21N5O/c1-4-10-15-11(14-5-2)8-12(16-10)18-7-6-17(3)13(19)9-18/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyBXGPMNKMNZRJLX-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80959189
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887866
1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80933087
N,2-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80935088
6-(4-butan-2-ylpiperazin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80940626
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80915875
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80940402
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322365
N,2-diethyl-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 80933708
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564
2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
CID 82169792

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 80942182) is 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is CCNc1cc(N2CCN(C)C(=O)C2)nc(CC)n1.
What is the InChIKey of 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is BXGPMNKMNZRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-10-15-11(14-5-2)8-12(16-10)18-7-6-17(3)13(19)9-18/h8H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 80942182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).