4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine

C15H17ClN4 — CID 103278343

IUPAC4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1cnc(N2CCNCC2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN4/c1-11-10-18-15(20-7-5-17-6-8-20)19-14(11)12-3-2-4-13(16)9-12/h2-4,9-10,17H,5-8H2,1H3
InChIKeyNWWMUQVWUDHKFO-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.52
Rot. Bonds2

About 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine

4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine (PubChem CID 103278343) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
PubChem CID103278343
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1cnc(N2CCNCC2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN4/c1-11-10-18-15(20-7-5-17-6-8-20)19-14(11)12-3-2-4-13(16)9-12/h2-4,9-10,17H,5-8H2,1H3
InChIKeyNWWMUQVWUDHKFO-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-5-methyl-2-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-(4-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
CID 103278304
4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211143
1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1,4-diazepane
CID 103279650
4-(3-chlorophenyl)-5-methylpyrimidine
CID 130121120
2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766929
5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 3062911
2-(3-chlorophenyl)-4-piperazin-1-yl-1,3-benzoxazole
CID 95948401
2-(1,4-diazepan-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 66803857
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine
CID 103278417
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine (CID 103278343) is 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine is Cc1cnc(N2CCNCC2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine?
The InChIKey is NWWMUQVWUDHKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-11-10-18-15(20-7-5-17-6-8-20)19-14(11)12-3-2-4-13(16)9-12/h2-4,9-10,17H,5-8H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine?
4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.52, 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-methyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 103278343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).