ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine

C15H28N4 — CID 90718908

IUPACethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine
SMILESCC.Cc1cnc(N2CC(C)N(C)C(C)C2C)nc1
InChIInChI=1S/C13H22N4.C2H6/c1-9-6-14-13(15-7-9)17-8-10(2)16(5)11(3)12(17)4;1-2/h6-7,10-12H,8H2,1-5H3;1-2H3
InChIKeyXRHVQYWRRYVQCR-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.73
Rot. Bonds1

About ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine

ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine (PubChem CID 90718908) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine
PubChem CID90718908
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Nameethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine
SMILESCC.Cc1cnc(N2CC(C)N(C)C(C)C2C)nc1
InChIInChI=1S/C13H22N4.C2H6/c1-9-6-14-13(15-7-9)17-8-10(2)16(5)11(3)12(17)4;1-2/h6-7,10-12H,8H2,1-5H3;1-2H3
InChIKeyXRHVQYWRRYVQCR-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine?
The IUPAC name of ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine (CID 90718908) is ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine is CC.Cc1cnc(N2CC(C)N(C)C(C)C2C)nc1.
What is the InChIKey of ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine?
The InChIKey is XRHVQYWRRYVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.C2H6/c1-9-6-14-13(15-7-9)17-8-10(2)16(5)11(3)12(17)4;1-2/h6-7,10-12H,8H2,1-5H3;1-2H3.
What are the key properties of ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine?
ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine has a molecular weight of 264.42 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 90718908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).