N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine

C20H28ClN5 — CID 112923626

IUPACN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(C)nc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H28ClN5/c1-4-5-9-24(3)19-14-16(2)22-20(23-19)26-12-10-25(11-13-26)18-8-6-7-17(21)15-18/h6-8,14-15H,4-5,9-13H2,1-3H3
InChIKeyRAUHGLJVUYKDKM-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.00
Rot. Bonds6

About N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine

N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 112923626) has the molecular formula C20H28ClN5 and a molecular weight of 373.93 g/mol. Its IUPAC name is N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID112923626
Molecular FormulaC20H28ClN5
Molecular Weight373.93 g/mol
Exact Mass373.20
IUPAC NameN-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(C)nc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H28ClN5/c1-4-5-9-24(3)19-14-16(2)22-20(23-19)26-12-10-25(11-13-26)18-8-6-7-17(21)15-18/h6-8,14-15H,4-5,9-13H2,1-3H3
InChIKeyRAUHGLJVUYKDKM-UHFFFAOYSA-N
XLogP4.00
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112898403
N-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112925591
2-(4-benzylpiperazin-1-yl)-N-butyl-N,6-dimethylpyrimidin-4-amine
CID 112922133
N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112875331
N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923477
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 44894672
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 112908525
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112925677
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine (CID 112923626) is N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine is CCCCN(C)c1cc(C)nc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is RAUHGLJVUYKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5/c1-4-5-9-24(3)19-14-16(2)22-20(23-19)26-12-10-25(11-13-26)18-8-6-7-17(21)15-18/h6-8,14-15H,4-5,9-13H2,1-3H3.
What are the key properties of N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine?
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 373.93 g/mol, XLogP of 4.00, 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,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 112923626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).