2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide

C24H26ClN5O2 — CID 91968027

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H26ClN5O2/c1-24(2,32-21-10-8-18(25)9-11-21)22(31)28-19-16-26-23(27-17-19)30-14-12-29(13-15-30)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H,28,31)
InChIKeyRFBDOSHVEFWMRS-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.25
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide (PubChem CID 91968027) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide
PubChem CID91968027
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H26ClN5O2/c1-24(2,32-21-10-8-18(25)9-11-21)22(31)28-19-16-26-23(27-17-19)30-14-12-29(13-15-30)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H,28,31)
InChIKeyRFBDOSHVEFWMRS-UHFFFAOYSA-N
XLogP4.25
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide
CID 17358413
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide
CID 122356780
2-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299391
2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 171152519
2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenoxypropanamide
CID 30309424
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010
N-(4-chlorophenyl)-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108965652

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide (CID 91968027) is 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The InChIKey is RFBDOSHVEFWMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-24(2,32-21-10-8-18(25)9-11-21)22(31)28-19-16-26-23(27-17-19)30-14-12-29(13-15-30)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H,28,31).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide has a molecular weight of 451.96 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 91968027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).