4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C24H21FN6 — CID 3267355

IUPAC4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESFc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C24H21FN6/c25-19-9-7-18(8-10-19)21-17-23(29-24(28-21)20-5-1-3-11-26-20)31-15-13-30(14-16-31)22-6-2-4-12-27-22/h1-12,17H,13-16H2
InChIKeyIJWXBPGAVXYUGM-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.07
Rot. Bonds4

About 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 3267355) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID3267355
Molecular FormulaC24H21FN6
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESFc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C24H21FN6/c25-19-9-7-18(8-10-19)21-17-23(29-24(28-21)20-5-1-3-11-26-20)31-15-13-30(14-16-31)22-6-2-4-12-27-22/h1-12,17H,13-16H2
InChIKeyIJWXBPGAVXYUGM-UHFFFAOYSA-N
XLogP4.07
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 3267355) is 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is Fc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is IJWXBPGAVXYUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6/c25-19-9-7-18(8-10-19)21-17-23(29-24(28-21)20-5-1-3-11-26-20)31-15-13-30(14-16-31)22-6-2-4-12-27-22/h1-12,17H,13-16H2.
What are the key properties of 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 412.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-pyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3267355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).