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

C17H22N4O — CID 117211903

IUPAC2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
SMILESCCc1ncc(N2CCNCC2)c(-c2ccccc2OC)n1
InChIInChI=1S/C17H22N4O/c1-3-16-19-12-14(21-10-8-18-9-11-21)17(20-16)13-6-4-5-7-15(13)22-2/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyDIQUQFQYTUYKIM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.12
Rot. Bonds4

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

2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine (PubChem CID 117211903) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
PubChem CID117211903
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
SMILESCCc1ncc(N2CCNCC2)c(-c2ccccc2OC)n1
InChIInChI=1S/C17H22N4O/c1-3-16-19-12-14(21-10-8-18-9-11-21)17(20-16)13-6-4-5-7-15(13)22-2/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyDIQUQFQYTUYKIM-UHFFFAOYSA-N
XLogP2.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211247
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211243
1-(2-octoxyphenyl)piperazine
CID 63461603
5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 174608249
4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine
CID 103278359
3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
CID 155874929

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
The IUPAC name of 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine (CID 117211903) is 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine is CCc1ncc(N2CCNCC2)c(-c2ccccc2OC)n1.
What is the InChIKey of 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
The InChIKey is DIQUQFQYTUYKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-16-19-12-14(21-10-8-18-9-11-21)17(20-16)13-6-4-5-7-15(13)22-2/h4-7,12,18H,3,8-11H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine?
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine has a molecular weight of 298.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).