4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine

C16H20N4O — CID 103278359

IUPAC4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine
SMILESCCOc1ccccc1-c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C16H20N4O/c1-2-21-15-6-4-3-5-13(15)14-7-8-18-16(19-14)20-11-9-17-10-12-20/h3-8,17H,2,9-12H2,1H3
InChIKeyXTVZYKJVMQUWJF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.95
Rot. Bonds4

About 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine

4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine (PubChem CID 103278359) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine
PubChem CID103278359
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine
SMILESCCOc1ccccc1-c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C16H20N4O/c1-2-21-15-6-4-3-5-13(15)14-7-8-18-16(19-14)20-11-9-17-10-12-20/h3-8,17H,2,9-12H2,1H3
InChIKeyXTVZYKJVMQUWJF-UHFFFAOYSA-N
XLogP1.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine
CID 103278321
4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
CID 63547712
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
CID 68575451
4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine
CID 106758887
3-[4-(2-methoxyphenyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 166248012
butane;2-piperazin-1-ylpyrimidine
CID 144912345
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine (CID 103278359) is 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine is CCOc1ccccc1-c1ccnc(N2CCNCC2)n1.
What is the InChIKey of 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is XTVZYKJVMQUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-21-15-6-4-3-5-13(15)14-7-8-18-16(19-14)20-11-9-17-10-12-20/h3-8,17H,2,9-12H2,1H3.
What are the key properties of 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine?
4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 284.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 103278359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).