(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C22H21FN4O — CID 50840875

IUPAC(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1cc(N2CCN(C(=O)c3ccccc3F)CC2)ncn1
InChIInChI=1S/C22H21FN4O/c1-16-6-2-3-7-17(16)20-14-21(25-15-24-20)26-10-12-27(13-11-26)22(28)18-8-4-5-9-19(18)23/h2-9,14-15H,10-13H2,1H3
InChIKeySSJMVYLFOBMGMH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.55
Rot. Bonds3

About (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 50840875) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID50840875
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1cc(N2CCN(C(=O)c3ccccc3F)CC2)ncn1
InChIInChI=1S/C22H21FN4O/c1-16-6-2-3-7-17(16)20-14-21(25-15-24-20)26-10-12-27(13-11-26)22(28)18-8-4-5-9-19(18)23/h2-9,14-15H,10-13H2,1H3
InChIKeySSJMVYLFOBMGMH-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70703320
(2-fluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626449
(2-fluorophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348922
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108736723
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 68680225
(2-methylphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704010
3-(3-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 50840944
(2-iodophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755287
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 121065286

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 50840875) is (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1ccccc1-c1cc(N2CCN(C(=O)c3ccccc3F)CC2)ncn1.
What is the InChIKey of (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is SSJMVYLFOBMGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-16-6-2-3-7-17(16)20-14-21(25-15-24-20)26-10-12-27(13-11-26)22(28)18-8-4-5-9-19(18)23/h2-9,14-15H,10-13H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 376.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 50840875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).