2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid

C13H20N4O2 — CID 175262495

IUPAC2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid
SMILESCCN1CCN(c2ncc(CC(=O)O)cn2)CC1C
InChIInChI=1S/C13H20N4O2/c1-3-16-4-5-17(9-10(16)2)13-14-7-11(8-15-13)6-12(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyACNAGAMWZBBTLR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.63
Rot. Bonds4

About 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid

2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid (PubChem CID 175262495) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid
PubChem CID175262495
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid
SMILESCCN1CCN(c2ncc(CC(=O)O)cn2)CC1C
InChIInChI=1S/C13H20N4O2/c1-3-16-4-5-17(9-10(16)2)13-14-7-11(8-15-13)6-12(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyACNAGAMWZBBTLR-UHFFFAOYSA-N
XLogP0.63
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
6-(4-ethyl-3-methylpiperazin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632175
5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63620885
5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 55215791
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736
2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80634567
6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80631815
5-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 63608912
(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 174238746
2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid
CID 63603586
(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 135096991

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid (CID 175262495) is 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid is CCN1CCN(c2ncc(CC(=O)O)cn2)CC1C.
What is the InChIKey of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is ACNAGAMWZBBTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-16-4-5-17(9-10(16)2)13-14-7-11(8-15-13)6-12(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid?
2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 175262495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).