4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine

C13H22N4 — CID 44613516

IUPAC4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C13H22N4/c1-13(2,3)11-5-6-14-12(15-11)17-9-7-16(4)8-10-17/h5-6H,7-10H2,1-4H3
InChIKeyXOPADLBBGXWNCV-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds1

About 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine

4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 44613516) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID44613516
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C13H22N4/c1-13(2,3)11-5-6-14-12(15-11)17-9-7-16(4)8-10-17/h5-6H,7-10H2,1-4H3
InChIKeyXOPADLBBGXWNCV-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine (CID 44613516) is 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nccc(C(C)(C)C)n2)CC1.
What is the InChIKey of 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XOPADLBBGXWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2,3)11-5-6-14-12(15-11)17-9-7-16(4)8-10-17/h5-6H,7-10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine?
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 44613516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).