2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine

C17H21ClN4 — CID 56766948

IUPAC2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
SMILESCCCc1cc(N2CCNCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4/c1-2-3-15-12-16(22-10-8-19-9-11-22)21-17(20-15)13-4-6-14(18)7-5-13/h4-7,12,19H,2-3,8-11H2,1H3
InChIKeyMJGZTWAKMRIZEG-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine

2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine (PubChem CID 56766948) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
PubChem CID56766948
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
SMILESCCCc1cc(N2CCNCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4/c1-2-3-15-12-16(22-10-8-19-9-11-22)21-17(20-15)13-4-6-14(18)7-5-13/h4-7,12,19H,2-3,8-11H2,1H3
InChIKeyMJGZTWAKMRIZEG-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine (CID 56766948) is 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine is CCCc1cc(N2CCNCC2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
The InChIKey is MJGZTWAKMRIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-2-3-15-12-16(22-10-8-19-9-11-22)21-17(20-15)13-4-6-14(18)7-5-13/h4-7,12,19H,2-3,8-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine has a molecular weight of 316.84 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine is sourced from PubChem (CID 56766948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).