2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid

C15H24N4O2 — CID 82166099

IUPAC2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid
SMILESCc1cc(C(C)(C)C)nc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-9-12(15(2,3)4)17-14(16-11)19-7-5-18(6-8-19)10-13(20)21/h9H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyFFNZMCDRXOHTTR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.29
Rot. Bonds3

About 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid

2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid (PubChem CID 82166099) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid
PubChem CID82166099
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid
SMILESCc1cc(C(C)(C)C)nc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-9-12(15(2,3)4)17-14(16-11)19-7-5-18(6-8-19)10-13(20)21/h9H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyFFNZMCDRXOHTTR-UHFFFAOYSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-tert-butyl-6-methylpyrimidin-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-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid (CID 82166099) is 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid is Cc1cc(C(C)(C)C)nc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
The InChIKey is FFNZMCDRXOHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-9-12(15(2,3)4)17-14(16-11)19-7-5-18(6-8-19)10-13(20)21/h9H,5-8,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid?
2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 82166099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).