2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine

C16H28N4 — CID 64859659

IUPAC2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine
SMILESCCCC1CNC(CC)(CC)CN1Cc1ncccn1
InChIInChI=1S/C16H28N4/c1-4-8-14-11-19-16(5-2,6-3)13-20(14)12-15-17-9-7-10-18-15/h7,9-10,14,19H,4-6,8,11-13H2,1-3H3
InChIKeyCMCREAPDNSQYDT-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.61
Rot. Bonds6

About 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine

2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64859659) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64859659
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine
SMILESCCCC1CNC(CC)(CC)CN1Cc1ncccn1
InChIInChI=1S/C16H28N4/c1-4-8-14-11-19-16(5-2,6-3)13-20(14)12-15-17-9-7-10-18-15/h7,9-10,14,19H,4-6,8,11-13H2,1-3H3
InChIKeyCMCREAPDNSQYDT-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine (CID 64859659) is 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine is CCCC1CNC(CC)(CC)CN1Cc1ncccn1.
What is the InChIKey of 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is CMCREAPDNSQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-14-11-19-16(5-2,6-3)13-20(14)12-15-17-9-7-10-18-15/h7,9-10,14,19H,4-6,8,11-13H2,1-3H3.
What are the key properties of 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine?
2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64859659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).