[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

C22H22FN5O — CID 109257022

IUPAC[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCc2ccccc2F)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H22FN5O/c23-20-9-5-4-6-17(20)14-24-22-25-15-18(16-26-22)21(29)28-12-10-27(11-13-28)19-7-2-1-3-8-19/h1-9,15-16H,10-14H2,(H,24,25,26)
InChIKeyIPWJGWKDCOHESQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.19
Rot. Bonds5

About [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109257022) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109257022
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCc2ccccc2F)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H22FN5O/c23-20-9-5-4-6-17(20)14-24-22-25-15-18(16-26-22)21(29)28-12-10-27(11-13-28)19-7-2-1-3-8-19/h1-9,15-16H,10-14H2,(H,24,25,26)
InChIKeyIPWJGWKDCOHESQ-UHFFFAOYSA-N
XLogP3.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109305262
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
[2-[2-(2-fluorophenyl)ethylamino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253672
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109257022) is [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cnc(NCc2ccccc2F)nc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is IPWJGWKDCOHESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-20-9-5-4-6-17(20)14-24-22-25-15-18(16-26-22)21(29)28-12-10-27(11-13-28)19-7-2-1-3-8-19/h1-9,15-16H,10-14H2,(H,24,25,26).
What are the key properties of [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 391.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109257022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).