4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine

C20H27N5O — CID 154580901

IUPAC4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1cccc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-26-18-6-4-5-17(15-18)16-23-11-13-24(14-12-23)19-7-8-21-20(22-19)25-9-2-3-10-25/h4-8,15H,2-3,9-14,16H2,1H3
InChIKeyJJKMTNNUZRBCIL-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.41
Rot. Bonds5

About 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine

4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 154580901) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID154580901
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1cccc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-26-18-6-4-5-17(15-18)16-23-11-13-24(14-12-23)19-7-8-21-20(22-19)25-9-2-3-10-25/h4-8,15H,2-3,9-14,16H2,1H3
InChIKeyJJKMTNNUZRBCIL-UHFFFAOYSA-N
XLogP2.41
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154580953
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154575792
2-(3-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344106
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 166604849
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92566725
(Z)-but-2-enedioic acid;2-[4-[[3-(3-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 70248111

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine (CID 154580901) is 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine is COc1cccc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)c1.
What is the InChIKey of 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is JJKMTNNUZRBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-26-18-6-4-5-17(15-18)16-23-11-13-24(14-12-23)19-7-8-21-20(22-19)25-9-2-3-10-25/h4-8,15H,2-3,9-14,16H2,1H3.
What are the key properties of 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 353.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 154580901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).