5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

C21H22FN5 — CID 51042448

IUPAC5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCN1CCN(c2nc(-c3ccccn3)ncc2Cc2ccccc2F)CC1
InChIInChI=1S/C21H22FN5/c1-26-10-12-27(13-11-26)21-17(14-16-6-2-3-7-18(16)22)15-24-20(25-21)19-8-4-5-9-23-19/h2-9,15H,10-14H2,1H3
InChIKeyYLANGMBYIWXMGD-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.02
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 51042448) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
PubChem CID51042448
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC Name5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCN1CCN(c2nc(-c3ccccn3)ncc2Cc2ccccc2F)CC1
InChIInChI=1S/C21H22FN5/c1-26-10-12-27(13-11-26)21-17(14-16-6-2-3-7-18(16)22)15-24-20(25-21)19-8-4-5-9-23-19/h2-9,15H,10-14H2,1H3
InChIKeyYLANGMBYIWXMGD-UHFFFAOYSA-N
XLogP3.02
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (CID 51042448) is 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is CN1CCN(c2nc(-c3ccccn3)ncc2Cc2ccccc2F)CC1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is YLANGMBYIWXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c1-26-10-12-27(13-11-26)21-17(14-16-6-2-3-7-18(16)22)15-24-20(25-21)19-8-4-5-9-23-19/h2-9,15H,10-14H2,1H3.
What are the key properties of 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 363.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 51042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).