1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone

C12H19N5O — CID 72903655

IUPAC1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCc1cnc(N)nc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H19N5O/c1-3-10-8-14-12(13)15-11(10)17-6-4-16(5-7-17)9(2)18/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyROONIDLDFNHEJI-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.29
Rot. Bonds2

About 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 72903655) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID72903655
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCc1cnc(N)nc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H19N5O/c1-3-10-8-14-12(13)15-11(10)17-6-4-16(5-7-17)9(2)18/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyROONIDLDFNHEJI-UHFFFAOYSA-N
XLogP0.29
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 72903655) is 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone is CCc1cnc(N)nc1N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is ROONIDLDFNHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-10-8-14-12(13)15-11(10)17-6-4-16(5-7-17)9(2)18/h8H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 249.32 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 72903655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).