2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide

C21H19F2N5O — CID 90545341

IUPAC2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1c(F)cccc1F
InChIInChI=1S/C21H19F2N5O/c22-16-7-4-8-17(23)20(16)21(29)26-18-13-19(25-14-24-18)28-11-9-27(10-12-28)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,24,25,26,29)
InChIKeyHNCLFOZTEWYZFR-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.33
Rot. Bonds4

About 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide

2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90545341) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90545341
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1c(F)cccc1F
InChIInChI=1S/C21H19F2N5O/c22-16-7-4-8-17(23)20(16)21(29)26-18-13-19(25-14-24-18)28-11-9-27(10-12-28)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,24,25,26,29)
InChIKeyHNCLFOZTEWYZFR-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
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
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90545341) is 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is HNCLFOZTEWYZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-16-7-4-8-17(23)20(16)21(29)26-18-13-19(25-14-24-18)28-11-9-27(10-12-28)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,24,25,26,29).
What are the key properties of 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 395.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90545341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).