2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine

C17H30N4 — CID 123876460

IUPAC2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine
SMILESCCC(C)(C)CC(C)(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H30N4/c1-6-16(2,3)14-17(4,5)21-12-10-20(11-13-21)15-18-8-7-9-19-15/h7-9H,6,10-14H2,1-5H3
InChIKeyDJPICJPGRQAGTQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.20
Rot. Bonds5

About 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine

2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 123876460) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine
PubChem CID123876460
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine
SMILESCCC(C)(C)CC(C)(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H30N4/c1-6-16(2,3)14-17(4,5)21-12-10-20(11-13-21)15-18-8-7-9-19-15/h7-9H,6,10-14H2,1-5H3
InChIKeyDJPICJPGRQAGTQ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)heptan-1-amine
CID 80556440
3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 62535879
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63873972
butane;2-piperazin-1-ylpyrimidine
CID 144912345
1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine
CID 155260618
N-(2-methylbutan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 74628749
2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 155941829
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
heptane;2-piperazin-1-ylpyrimidine
CID 144585904

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine (CID 123876460) is 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine is CCC(C)(C)CC(C)(C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is DJPICJPGRQAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-16(2,3)14-17(4,5)21-12-10-20(11-13-21)15-18-8-7-9-19-15/h7-9H,6,10-14H2,1-5H3.
What are the key properties of 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine?
2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 290.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 123876460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).