2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid

C18H21FN4O2 — CID 56768570

IUPAC2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN4O2/c1-2-15-11-16(23-9-7-22(8-10-23)12-17(24)25)21-18(20-15)13-3-5-14(19)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,24,25)
InChIKeyMVRUNGMLUDHVCW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.05
Rot. Bonds5

About 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid

2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid (PubChem CID 56768570) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
PubChem CID56768570
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN4O2/c1-2-15-11-16(23-9-7-22(8-10-23)12-17(24)25)21-18(20-15)13-3-5-14(19)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,24,25)
InChIKeyMVRUNGMLUDHVCW-UHFFFAOYSA-N
XLogP2.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768552
2-[4-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768572
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767542
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768591
1-[4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 133285317
1-[6-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-one
CID 56767373
2-[4-[[2-(4-fluorophenyl)-6-oxo-1H-pyrimidin-4-yl]methyl]piperazin-1-yl]acetic acid
CID 164663616
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid (CID 56768570) is 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid is CCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The InChIKey is MVRUNGMLUDHVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-15-11-16(23-9-7-22(8-10-23)12-17(24)25)21-18(20-15)13-3-5-14(19)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,24,25).
What are the key properties of 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid has a molecular weight of 344.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 56768570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).