N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide

C22H20F3N5O — CID 90545273

IUPACN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)17-8-6-16(7-9-17)21(31)28-19-14-20(27-15-26-19)30-12-10-29(11-13-30)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,26,27,28,31)
InChIKeyHAQGYPPGWOWLAD-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.07
Rot. Bonds4

About N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide

N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 90545273) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID90545273
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC NameN-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)17-8-6-16(7-9-17)21(31)28-19-14-20(27-15-26-19)30-12-10-29(11-13-30)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,26,27,28,31)
InChIKeyHAQGYPPGWOWLAD-UHFFFAOYSA-N
XLogP4.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90545480
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide (CID 90545273) is N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is HAQGYPPGWOWLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c23-22(24,25)17-8-6-16(7-9-17)21(31)28-19-14-20(27-15-26-19)30-12-10-29(11-13-30)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,26,27,28,31).
What are the key properties of N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 427.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90545273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).