2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine

C14H24N4O — CID 95857239

IUPAC2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCN(CCOC)CC2)cn1
InChIInChI=1S/C14H24N4O/c1-3-14-15-10-13(11-16-14)12-18-6-4-17(5-7-18)8-9-19-2/h10-11H,3-9,12H2,1-2H3
InChIKeyLVFSRUBMLHUVDM-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.80
Rot. Bonds6

About 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine

2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine (PubChem CID 95857239) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
PubChem CID95857239
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCN(CCOC)CC2)cn1
InChIInChI=1S/C14H24N4O/c1-3-14-15-10-13(11-16-14)12-18-6-4-17(5-7-18)8-9-19-2/h10-11H,3-9,12H2,1-2H3
InChIKeyLVFSRUBMLHUVDM-UHFFFAOYSA-N
XLogP0.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine (CID 95857239) is 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine is CCc1ncc(CN2CCN(CCOC)CC2)cn1.
What is the InChIKey of 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine?
The InChIKey is LVFSRUBMLHUVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-14-15-10-13(11-16-14)12-18-6-4-17(5-7-18)8-9-19-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine?
2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine has a molecular weight of 264.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95857239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).