[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone

C22H22FN5O — CID 109262099

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
SMILESCN(c1ccccc1)c1ncc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H22FN5O/c1-26(18-7-3-2-4-8-18)22-24-15-17(16-25-22)21(29)28-13-11-27(12-14-28)20-10-6-5-9-19(20)23/h2-10,15-16H,11-14H2,1H3
InChIKeyWZBRPUIQTFVXEW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.35
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone (PubChem CID 109262099) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
PubChem CID109262099
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
SMILESCN(c1ccccc1)c1ncc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H22FN5O/c1-26(18-7-3-2-4-8-18)22-24-15-17(16-25-22)21(29)28-13-11-27(12-14-28)20-10-6-5-9-19(20)23/h2-10,15-16H,11-14H2,1H3
InChIKeyWZBRPUIQTFVXEW-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
N-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 2471505
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109262111
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone (CID 109262099) is [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone is CN(c1ccccc1)c1ncc(C(=O)N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone?
The InChIKey is WZBRPUIQTFVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-26(18-7-3-2-4-8-18)22-24-15-17(16-25-22)21(29)28-13-11-27(12-14-28)20-10-6-5-9-19(20)23/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone has a molecular weight of 391.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109262099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).