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

C18H22N4O2 — CID 56768591

IUPAC2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCCc1nc(-c2ccccc2)cc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-2-16-19-15(14-6-4-3-5-7-14)12-17(20-16)22-10-8-21(9-11-22)13-18(23)24/h3-7,12H,2,8-11,13H2,1H3,(H,23,24)
InChIKeySNWXUPQDWNESHW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds5

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

2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid (PubChem CID 56768591) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
PubChem CID56768591
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCCc1nc(-c2ccccc2)cc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-2-16-19-15(14-6-4-3-5-7-14)12-17(20-16)22-10-8-21(9-11-22)13-18(23)24/h3-7,12H,2,8-11,13H2,1H3,(H,23,24)
InChIKeySNWXUPQDWNESHW-UHFFFAOYSA-N
XLogP1.91
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid (CID 56768591) is 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid is CCc1nc(-c2ccccc2)cc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is SNWXUPQDWNESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-16-19-15(14-6-4-3-5-7-14)12-17(20-16)22-10-8-21(9-11-22)13-18(23)24/h3-7,12H,2,8-11,13H2,1H3,(H,23,24).
What are the key properties of 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 326.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 56768591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).