N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride

C25H28Cl3N5O — CID 52947968

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride
SMILESCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1.Cl
InChIInChI=1S/C25H27Cl2N5O.ClH/c1-18-29-21(19-7-3-2-4-8-19)17-22(30-18)25(33)28-11-6-12-31-13-15-32(16-14-31)23-10-5-9-20(26)24(23)27;/h2-5,7-10,17H,6,11-16H2,1H3,(H,28,33);1H
InChIKeyTYAARHVMBUJJHW-UHFFFAOYSA-N
MW520.89 g/mol
LogP5.12
Rot. Bonds7

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 52947968) has the molecular formula C25H28Cl3N5O and a molecular weight of 520.89 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride
PubChem CID52947968
Molecular FormulaC25H28Cl3N5O
Molecular Weight520.89 g/mol
Exact Mass519.14
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride
SMILESCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1.Cl
InChIInChI=1S/C25H27Cl2N5O.ClH/c1-18-29-21(19-7-3-2-4-8-19)17-22(30-18)25(33)28-11-6-12-31-13-15-32(16-14-31)23-10-5-9-20(26)24(23)27;/h2-5,7-10,17H,6,11-16H2,1H3,(H,28,33);1H
InChIKeyTYAARHVMBUJJHW-UHFFFAOYSA-N
XLogP5.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride 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 N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride (CID 52947968) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride is Cc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is TYAARHVMBUJJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O.ClH/c1-18-29-21(19-7-3-2-4-8-19)17-22(30-18)25(33)28-11-6-12-31-13-15-32(16-14-31)23-10-5-9-20(26)24(23)27;/h2-5,7-10,17H,6,11-16H2,1H3,(H,28,33);1H.
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 520.89 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 52947968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).