2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid

C13H20N4O2 — CID 116976365

IUPAC2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid
SMILESCC(C)c1cnc(N2CCN(CC(=O)O)CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-10(2)11-7-14-13(15-8-11)17-5-3-16(4-6-17)9-12(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyOWBMJEDWAKDTSO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid

2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid (PubChem CID 116976365) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid
PubChem CID116976365
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid
SMILESCC(C)c1cnc(N2CCN(CC(=O)O)CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-10(2)11-7-14-13(15-8-11)17-5-3-16(4-6-17)9-12(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyOWBMJEDWAKDTSO-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid (CID 116976365) is 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid is CC(C)c1cnc(N2CCN(CC(=O)O)CC2)nc1.
What is the InChIKey of 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
The InChIKey is OWBMJEDWAKDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)11-7-14-13(15-8-11)17-5-3-16(4-6-17)9-12(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 116976365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).