4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine

C14H15ClN4 — CID 117211143

IUPAC4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine
SMILESClc1cccc(-c2ncncc2N2CCNCC2)c1
InChIInChI=1S/C14H15ClN4/c15-12-3-1-2-11(8-12)14-13(9-17-10-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2
InChIKeyFNVYETCTXLGGSV-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.21
Rot. Bonds2

About 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine

4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine (PubChem CID 117211143) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine
PubChem CID117211143
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine
SMILESClc1cccc(-c2ncncc2N2CCNCC2)c1
InChIInChI=1S/C14H15ClN4/c15-12-3-1-2-11(8-12)14-13(9-17-10-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2
InChIKeyFNVYETCTXLGGSV-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-5-piperazin-1-ylpyrimidine
CID 59511159
4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
CID 103278343
2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
CID 136934499
4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine
CID 117211239
4-(3-chlorophenyl)-5-methylpyrimidine
CID 130121120
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211247
2-(3-chlorophenyl)-4-piperazin-1-yl-1,3-benzoxazole
CID 95948401
1-[3-[(3-chlorophenoxy)methyl]-4-pyridinyl]piperazine
CID 72549929
4-(4-chlorophenyl)-2-methyl-5-piperazin-1-ylpyrimidine
CID 117211336
5-(3-chlorophenyl)pyrimidine-4-carboxylic acid
CID 105495430
1-[2-[(3-chlorophenoxy)methyl]-3-pyridinyl]piperazine
CID 72549708
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine (CID 117211143) is 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine is Clc1cccc(-c2ncncc2N2CCNCC2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine?
The InChIKey is FNVYETCTXLGGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-12-3-1-2-11(8-12)14-13(9-17-10-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2.
What are the key properties of 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine?
4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine has a molecular weight of 274.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).