2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine

C20H27N5 — CID 112934083

IUPAC2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCN1CCN(c2nc(-c3ccccc3)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H27N5/c1-2-23-12-14-25(15-13-23)20-21-18(17-8-4-3-5-9-17)16-19(22-20)24-10-6-7-11-24/h3-5,8-9,16H,2,6-7,10-15H2,1H3
InChIKeyWJMIOMMRXWROQL-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.89
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine

2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 112934083) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID112934083
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCN1CCN(c2nc(-c3ccccc3)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H27N5/c1-2-23-12-14-25(15-13-23)20-21-18(17-8-4-3-5-9-17)16-19(22-20)24-10-6-7-11-24/h3-5,8-9,16H,2,6-7,10-15H2,1H3
InChIKeyWJMIOMMRXWROQL-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 112934085
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934123
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936505
N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
CID 112936528
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
CID 112936435
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
4-[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936248
N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine (CID 112934083) is 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine is CCN1CCN(c2nc(-c3ccccc3)cc(N3CCCC3)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is WJMIOMMRXWROQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-2-23-12-14-25(15-13-23)20-21-18(17-8-4-3-5-9-17)16-19(22-20)24-10-6-7-11-24/h3-5,8-9,16H,2,6-7,10-15H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 337.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112934083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).