N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine

C23H30Cl2FN5 — CID 175603541

IUPACN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncccn1)C1CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1F
InChIInChI=1S/C23H30Cl2FN5/c1-30(23-28-8-3-9-29-23)20-7-6-16(14-19(20)26)15-21(31-12-10-27-11-13-31)17-4-2-5-18(24)22(17)25/h2-5,8-9,16,19-21,27H,6-7,10-15H2,1H3
InChIKeyLDYXJSLAVLPVFS-UHFFFAOYSA-N
MW466.43 g/mol
LogP4.76
Rot. Bonds6

About N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine

N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine (PubChem CID 175603541) has the molecular formula C23H30Cl2FN5 and a molecular weight of 466.43 g/mol. Its IUPAC name is N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine
PubChem CID175603541
Molecular FormulaC23H30Cl2FN5
Molecular Weight466.43 g/mol
Exact Mass465.19
IUPAC NameN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncccn1)C1CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1F
InChIInChI=1S/C23H30Cl2FN5/c1-30(23-28-8-3-9-29-23)20-7-6-16(14-19(20)26)15-21(31-12-10-27-11-13-31)17-4-2-5-18(24)22(17)25/h2-5,8-9,16,19-21,27H,6-7,10-15H2,1H3
InChIKeyLDYXJSLAVLPVFS-UHFFFAOYSA-N
XLogP4.76
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine 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

N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine
CID 175603543
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride
CID 171294553
1-[(1S)-1-(2,3-dichlorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277288
1-[(1R)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303637
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
1-[(1S)-1-(2,3-dichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309076
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171274071
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276706

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine?
The IUPAC name of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine (CID 175603541) is N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine is CN(c1ncccn1)C1CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1F.
What is the InChIKey of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine?
The InChIKey is LDYXJSLAVLPVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2FN5/c1-30(23-28-8-3-9-29-23)20-7-6-16(14-19(20)26)15-21(31-12-10-27-11-13-31)17-4-2-5-18(24)22(17)25/h2-5,8-9,16,19-21,27H,6-7,10-15H2,1H3.
What are the key properties of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine?
N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine has a molecular weight of 466.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 175603541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).