methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate

C13H19N5O3 — CID 50964777

IUPACmethyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate
SMILESCCNc1ccnc(N2CCN(CC(=O)OC)C(=O)C2)n1
InChIInChI=1S/C13H19N5O3/c1-3-14-10-4-5-15-13(16-10)18-7-6-17(11(19)8-18)9-12(20)21-2/h4-5H,3,6-9H2,1-2H3,(H,14,15,16)
InChIKeyAVBMOTSBMLKQMC-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.27
Rot. Bonds5

About methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate

methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate (PubChem CID 50964777) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate
PubChem CID50964777
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Namemethyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate
SMILESCCNc1ccnc(N2CCN(CC(=O)OC)C(=O)C2)n1
InChIInChI=1S/C13H19N5O3/c1-3-14-10-4-5-15-13(16-10)18-7-6-17(11(19)8-18)9-12(20)21-2/h4-5H,3,6-9H2,1-2H3,(H,14,15,16)
InChIKeyAVBMOTSBMLKQMC-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate (CID 50964777) is methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate is CCNc1ccnc(N2CCN(CC(=O)OC)C(=O)C2)n1.
What is the InChIKey of methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate?
The InChIKey is AVBMOTSBMLKQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-3-14-10-4-5-15-13(16-10)18-7-6-17(11(19)8-18)9-12(20)21-2/h4-5H,3,6-9H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate?
methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate has a molecular weight of 293.33 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 50964777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).