2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid

C16H26N4O2 — CID 56768578

IUPAC2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCC(C)c1cc(N2CCN(CC(=O)O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)13-9-14(18-16(17-13)12(3)4)20-7-5-19(6-8-20)10-15(21)22/h9,11-12H,5-8,10H2,1-4H3,(H,21,22)
InChIKeyBXRFGBFUEORNLO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid

2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid (PubChem CID 56768578) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
PubChem CID56768578
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCC(C)c1cc(N2CCN(CC(=O)O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)13-9-14(18-16(17-13)12(3)4)20-7-5-19(6-8-20)10-15(21)22/h9,11-12H,5-8,10H2,1-4H3,(H,21,22)
InChIKeyBXRFGBFUEORNLO-UHFFFAOYSA-N
XLogP1.93
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine
CID 133408248
[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 133409488
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
CID 94075362
(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122051785
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51244375
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 136958795
N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 34907224
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 26376740
(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 133409289
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 26376619

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid (CID 56768578) is 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid is CC(C)c1cc(N2CCN(CC(=O)O)CC2)nc(C(C)C)n1.
What is the InChIKey of 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The InChIKey is BXRFGBFUEORNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)13-9-14(18-16(17-13)12(3)4)20-7-5-19(6-8-20)10-15(21)22/h9,11-12H,5-8,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid has a molecular weight of 306.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 56768578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).