5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine

C15H26N4O — CID 95857248

IUPAC5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCOCCN1CCN(Cc2cnc(C(C)C)nc2)CC1
InChIInChI=1S/C15H26N4O/c1-13(2)15-16-10-14(11-17-15)12-19-6-4-18(5-7-19)8-9-20-3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyAXCDTPZTSQWFAZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.36
Rot. Bonds6

About 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine

5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine (PubChem CID 95857248) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
PubChem CID95857248
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCOCCN1CCN(Cc2cnc(C(C)C)nc2)CC1
InChIInChI=1S/C15H26N4O/c1-13(2)15-16-10-14(11-17-15)12-19-6-4-18(5-7-19)8-9-20-3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyAXCDTPZTSQWFAZ-UHFFFAOYSA-N
XLogP1.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine (CID 95857248) is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine is COCCN1CCN(Cc2cnc(C(C)C)nc2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The InChIKey is AXCDTPZTSQWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(2)15-16-10-14(11-17-15)12-19-6-4-18(5-7-19)8-9-20-3/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine has a molecular weight of 278.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 95857248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).