4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine

C15H18N4O — CID 117211247

IUPAC4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
SMILESCOc1ccccc1-c1ncncc1N1CCNCC1
InChIInChI=1S/C15H18N4O/c1-20-14-5-3-2-4-12(14)15-13(10-17-11-18-15)19-8-6-16-7-9-19/h2-5,10-11,16H,6-9H2,1H3
InChIKeyWMXLCSFPCZDFKW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.56
Rot. Bonds3

About 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine

4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine (PubChem CID 117211247) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
PubChem CID117211247
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
SMILESCOc1ccccc1-c1ncncc1N1CCNCC1
InChIInChI=1S/C15H18N4O/c1-20-14-5-3-2-4-12(14)15-13(10-17-11-18-15)19-8-6-16-7-9-19/h2-5,10-11,16H,6-9H2,1H3
InChIKeyWMXLCSFPCZDFKW-UHFFFAOYSA-N
XLogP1.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
CID 136934499
4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine
CID 117211239
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903
4-phenyl-5-piperazin-1-ylpyrimidine
CID 59511159
4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211143
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 174608249
3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
CID 155874929
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine (CID 117211247) is 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine is COc1ccccc1-c1ncncc1N1CCNCC1.
What is the InChIKey of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
The InChIKey is WMXLCSFPCZDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-14-5-3-2-4-12(14)15-13(10-17-11-18-15)19-8-6-16-7-9-19/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine has a molecular weight of 270.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).