2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine

C18H32N4 — CID 176826635

IUPAC2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine
SMILESCC(C)(C)CCN1CCN(c2cnc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H32N4/c1-17(2,3)7-8-21-9-11-22(12-10-21)15-13-19-16(20-14-15)18(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVWQCUUXICVZEIB-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.33
Rot. Bonds3

About 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine

2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine (PubChem CID 176826635) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine
PubChem CID176826635
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine
SMILESCC(C)(C)CCN1CCN(c2cnc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H32N4/c1-17(2,3)7-8-21-9-11-22(12-10-21)15-13-19-16(20-14-15)18(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVWQCUUXICVZEIB-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylbutyl)-4-[4-(4,4-dimethylpentan-2-yl)phenyl]piperazine
CID 139545886
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 168785842
2-[4-[6-[2,5-dimethyl-5-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]piperazin-1-yl]ethanol
CID 134601086
1-(3,3-dimethylbutyl)azocane
CID 166986973
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
2-methyl-1-[4-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 166459386
6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183281
2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-methylpyrimidine
CID 22349874
tert-butyl N-[2-[2-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 176640297
4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 145041166
4-chloro-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133283944

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine (CID 176826635) is 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine is CC(C)(C)CCN1CCN(c2cnc(C(C)(C)C)nc2)CC1.
What is the InChIKey of 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine?
The InChIKey is VWQCUUXICVZEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-17(2,3)7-8-21-9-11-22(12-10-21)15-13-19-16(20-14-15)18(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine?
2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine has a molecular weight of 304.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 176826635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).