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

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Related Compounds

2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 107553845
2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
CID 82118959
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827
4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 56906811
2-[4-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768572
2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 133367985
2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 154830244
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
CID 62939430

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).