(2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C23H23FN4O — CID 100753699

IUPAC(2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1nc(Cc2ccccc2)ncc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H23FN4O/c1-17-19(16-25-22(26-17)15-18-7-3-2-4-8-18)23(29)28-13-11-27(12-14-28)21-10-6-5-9-20(21)24/h2-10,16H,11-15H2,1H3
InChIKeyQRKZLTMTCPLIOF-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.48
Rot. Bonds4

About (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 100753699) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID100753699
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1nc(Cc2ccccc2)ncc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H23FN4O/c1-17-19(16-25-22(26-17)15-18-7-3-2-4-8-18)23(29)28-13-11-27(12-14-28)21-10-6-5-9-20(21)24/h2-10,16H,11-15H2,1H3
InChIKeyQRKZLTMTCPLIOF-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]methanone
CID 20959754
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 4035009
[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3610985
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 4984521
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 3452300
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
5-benzyl-2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-3,6-dimethylpyrimidin-4-one
CID 42738649

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 100753699) is (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1nc(Cc2ccccc2)ncc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QRKZLTMTCPLIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-17-19(16-25-22(26-17)15-18-7-3-2-4-8-18)23(29)28-13-11-27(12-14-28)21-10-6-5-9-20(21)24/h2-10,16H,11-15H2,1H3.
What are the key properties of (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 390.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 100753699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).