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

C24H21FN6 — CID 3526497

IUPAC4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESFc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H21FN6/c25-20-6-4-18(5-7-20)21-17-23(29-24(28-21)19-8-11-26-12-9-19)31-15-13-30(14-16-31)22-3-1-2-10-27-22/h1-12,17H,13-16H2
InChIKeyGECPHPUEUWDNNL-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.07
Rot. Bonds4

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

4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 3526497) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID3526497
Molecular FormulaC24H21FN6
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESFc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H21FN6/c25-20-6-4-18(5-7-20)21-17-23(29-24(28-21)19-8-11-26-12-9-19)31-15-13-30(14-16-31)22-3-1-2-10-27-22/h1-12,17H,13-16H2
InChIKeyGECPHPUEUWDNNL-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-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 3526497) is 4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is Fc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is GECPHPUEUWDNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6/c25-20-6-4-18(5-7-20)21-17-23(29-24(28-21)19-8-11-26-12-9-19)31-15-13-30(14-16-31)22-3-1-2-10-27-22/h1-12,17H,13-16H2.
What are the key properties of 4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
4-(4-fluorophenyl)-2-pyridin-4-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-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3526497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).