4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

C19H24ClN5 — CID 154575798

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESClc1ccc(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1
InChIInChI=1S/C19H24ClN5/c20-17-5-3-16(4-6-17)14-23-9-11-25(12-10-23)19-13-18(21-15-22-19)24-7-1-2-8-24/h3-6,13,15H,1-2,7-12,14H2
InChIKeyYMQBXRVOAUUJCO-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.05
Rot. Bonds4

About 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 154575798) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID154575798
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESClc1ccc(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1
InChIInChI=1S/C19H24ClN5/c20-17-5-3-16(4-6-17)14-23-9-11-25(12-10-23)19-13-18(21-15-22-19)24-7-1-2-8-24/h3-6,13,15H,1-2,7-12,14H2
InChIKeyYMQBXRVOAUUJCO-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (CID 154575798) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is Clc1ccc(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is YMQBXRVOAUUJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5/c20-17-5-3-16(4-6-17)14-23-9-11-25(12-10-23)19-13-18(21-15-22-19)24-7-1-2-8-24/h3-6,13,15H,1-2,7-12,14H2.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 357.89 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 154575798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).