4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid

C11H16N4O2 — CID 166794104

IUPAC4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESCCc1cncnc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C11H16N4O2/c1-2-9-7-12-8-13-10(9)14-3-5-15(6-4-14)11(16)17/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyXTVSPCCZDODAFJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.84
Rot. Bonds2

About 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid

4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 166794104) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
PubChem CID166794104
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESCCc1cncnc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C11H16N4O2/c1-2-9-7-12-8-13-10(9)14-3-5-15(6-4-14)11(16)17/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyXTVSPCCZDODAFJ-UHFFFAOYSA-N
XLogP0.84
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 50955687
4-(5-Ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50984715
4-(4-Acetylpiperazin-1-yl)-5-ethylpyrimidin-2-amine
CID 72903655
Tert-butyl 4-[2-chloro-5-(propan-2-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 137963988
Tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 70827638
1-Methyl-4-(5-propylpyrimidin-2-YL)piperazin-2-one
CID 129612994
4-(5-Fluoropyrimidin-2-yl)piperazine-1-carboxylic acid
CID 23149857
(3S)-3-methyl-4-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 66582352
4-[5-(3-Fluoropropyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 68406741
(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid
CID 69455934
2-Ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 70353155
(3S)-3-methyl-4-(5-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)-2-pyrimidinyl)-1-piperazinecarboxylate
CID 86670309

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid (CID 166794104) is 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid is CCc1cncnc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is XTVSPCCZDODAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-9-7-12-8-13-10(9)14-3-5-15(6-4-14)11(16)17/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 166794104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).