[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C21H20FN5O — CID 109309529

IUPAC[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(Nc2ccccc2F)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20FN5O/c22-17-8-4-5-9-18(17)24-21-23-11-10-19(25-21)20(28)27-14-12-26(13-15-27)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24,25)
InChIKeyUKZKVBJJHKOYHG-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.32
Rot. Bonds4

About [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109309529) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109309529
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(Nc2ccccc2F)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20FN5O/c22-17-8-4-5-9-18(17)24-21-23-11-10-19(25-21)20(28)27-14-12-26(13-15-27)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24,25)
InChIKeyUKZKVBJJHKOYHG-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-fluoroanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302910
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109305262
[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309545
[4-[2-(2-fluoroanilino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112898647
azepan-1-yl-[2-(2,6-difluoroanilino)pyrimidin-4-yl]methanone
CID 109313388
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
4-[2-(2,4-difluoroanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302958
4-(2-anilinopyrimidine-4-carbonyl)piperazine-1-carboxylic acid
CID 174220417
(4-phenylpiperazin-1-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307181
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109309529) is [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccnc(Nc2ccccc2F)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is UKZKVBJJHKOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-8-4-5-9-18(17)24-21-23-11-10-19(25-21)20(28)27-14-12-26(13-15-27)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24,25).
What are the key properties of [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 377.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109309529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).