2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide

C19H33N5O — CID 133367985

IUPAC2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5O/c1-18(2,3)14-12-15(22-17(21-14)19(4,5)6)24-10-8-23(9-11-24)13-16(25)20-7/h12H,8-11,13H2,1-7H3,(H,20,25)
InChIKeyXIFDQVZEQOWREX-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.94
Rot. Bonds3

About 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide

2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 133367985) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID133367985
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5O/c1-18(2,3)14-12-15(22-17(21-14)19(4,5)6)24-10-8-23(9-11-24)13-16(25)20-7/h12H,8-11,13H2,1-7H3,(H,20,25)
InChIKeyXIFDQVZEQOWREX-UHFFFAOYSA-N
XLogP1.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 47159148
2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide
CID 133489644
5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133367815
cyclopropyl-[4-(2,6-ditert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499066
4-bromo-N-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]butyl]benzamide
CID 18315306
[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 133367981
2,4-ditert-butyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]propyl]piperazin-1-yl]pyrimidine
CID 11583509
2-[4-[2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90943462
2-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]butyl]-1H-1,2,4-triazine;2,2,2-trifluoroacetic acid
CID 162016975
2-[4-(2-tert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]-N-ethylacetamide
CID 133351609
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine
CID 133383773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide (CID 133367985) is 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is XIFDQVZEQOWREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-18(2,3)14-12-15(22-17(21-14)19(4,5)6)24-10-8-23(9-11-24)13-16(25)20-7/h12H,8-11,13H2,1-7H3,(H,20,25).
What are the key properties of 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide?
2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 347.51 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 133367985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).