[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone

C23H24ClN5O — CID 58716755

IUPAC[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)C(C)CN1
InChIInChI=1S/C23H24ClN5O/c1-15-14-29(16(2)13-26-15)22(30)18-5-9-20(10-6-18)27-23-25-12-11-21(28-23)17-3-7-19(24)8-4-17/h3-12,15-16,26H,13-14H2,1-2H3,(H,25,27,28)
InChIKeyOUUAKQCVLLNPFZ-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.36
Rot. Bonds4

About [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone

[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 58716755) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID58716755
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)C(C)CN1
InChIInChI=1S/C23H24ClN5O/c1-15-14-29(16(2)13-26-15)22(30)18-5-9-20(10-6-18)27-23-25-12-11-21(28-23)17-3-7-19(24)8-4-17/h3-12,15-16,26H,13-14H2,1-2H3,(H,25,27,28)
InChIKeyOUUAKQCVLLNPFZ-UHFFFAOYSA-N
XLogP4.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]methanone;ethane
CID 142946360
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide
CID 142946389
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 58716618
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-cyclopentylmethanone
CID 58716733
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 142946327
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 58716700
4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 58717032
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-[[(2R)-1-hydroxypropan-2-yl]amino]piperidin-1-yl]methanone
CID 58716597
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(3-methoxypropyl)piperazin-1-yl]methanone
CID 58716855

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone (CID 58716755) is [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)C(C)CN1.
What is the InChIKey of [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is OUUAKQCVLLNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-15-14-29(16(2)13-26-15)22(30)18-5-9-20(10-6-18)27-23-25-12-11-21(28-23)17-3-7-19(24)8-4-17/h3-12,15-16,26H,13-14H2,1-2H3,(H,25,27,28).
What are the key properties of [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone?
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 421.93 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 58716755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).