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

C24H27N5 — CID 112934251

IUPAC4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(-c2cc(N3CCN(c4ccccc4)CC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C24H27N5/c1-3-9-20(10-4-1)22-19-23(26-24(25-22)29-13-7-8-14-29)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-6,9-12,19H,7-8,13-18H2
InChIKeyYGFMFNYXLOVFSE-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.07
Rot. Bonds4

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

4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 112934251) has the molecular formula C24H27N5 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID112934251
Molecular FormulaC24H27N5
Molecular Weight385.51 g/mol
Exact Mass385.23
IUPAC Name4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(-c2cc(N3CCN(c4ccccc4)CC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C24H27N5/c1-3-9-20(10-4-1)22-19-23(26-24(25-22)29-13-7-8-14-29)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-6,9-12,19H,7-8,13-18H2
InChIKeyYGFMFNYXLOVFSE-UHFFFAOYSA-N
XLogP4.07
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934123
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
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
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
4-[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936248
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112934438
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine (CID 112934251) is 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine is c1ccc(-c2cc(N3CCN(c4ccccc4)CC3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is YGFMFNYXLOVFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-3-9-20(10-4-1)22-19-23(26-24(25-22)29-13-7-8-14-29)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-6,9-12,19H,7-8,13-18H2.
What are the key properties of 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 385.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112934251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).