2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine

C25H29N5 — CID 112934123

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cccc(N2CCN(c3nc(-c4ccccc4)cc(N4CCCC4)n3)CC2)c1
InChIInChI=1S/C25H29N5/c1-20-8-7-11-22(18-20)28-14-16-30(17-15-28)25-26-23(21-9-3-2-4-10-21)19-24(27-25)29-12-5-6-13-29/h2-4,7-11,18-19H,5-6,12-17H2,1H3
InChIKeyCZZKUEUUDBYLRD-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.38
Rot. Bonds4

About 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine

2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 112934123) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID112934123
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cccc(N2CCN(c3nc(-c4ccccc4)cc(N4CCCC4)n3)CC2)c1
InChIInChI=1S/C25H29N5/c1-20-8-7-11-22(18-20)28-14-16-30(17-15-28)25-26-23(21-9-3-2-4-10-21)19-24(27-25)29-12-5-6-13-29/h2-4,7-11,18-19H,5-6,12-17H2,1H3
InChIKeyCZZKUEUUDBYLRD-UHFFFAOYSA-N
XLogP4.38
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.38
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
2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932695
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
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
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
4-[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936248
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine (CID 112934123) is 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine is Cc1cccc(N2CCN(c3nc(-c4ccccc4)cc(N4CCCC4)n3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is CZZKUEUUDBYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-20-8-7-11-22(18-20)28-14-16-30(17-15-28)25-26-23(21-9-3-2-4-10-21)19-24(27-25)29-12-5-6-13-29/h2-4,7-11,18-19H,5-6,12-17H2,1H3.
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine?
2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 399.54 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112934123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).