N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

C19H26ClN5 — CID 112898403

IUPACN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-3-4-10-23(2)18-8-9-21-19(22-18)25-13-11-24(12-14-25)17-7-5-6-16(20)15-17/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFFZNUMHEGKTLHF-UHFFFAOYSA-N
MW359.91 g/mol
LogP3.69
Rot. Bonds6

About N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine

N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 112898403) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID112898403
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC NameN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-3-4-10-23(2)18-8-9-21-19(22-18)25-13-11-24(12-14-25)17-7-5-6-16(20)15-17/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFFZNUMHEGKTLHF-UHFFFAOYSA-N
XLogP3.69
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-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-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112923626
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109296562
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-butyl-N-methylpyrimidin-4-amine
CID 112898084
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533
N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564
N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896475
N-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112925591
N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112875331
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine (CID 112898403) is N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is CCCCN(C)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is FFZNUMHEGKTLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-3-4-10-23(2)18-8-9-21-19(22-18)25-13-11-24(12-14-25)17-7-5-6-16(20)15-17/h5-9,15H,3-4,10-14H2,1-2H3.
What are the key properties of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine?
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 359.91 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112898403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).