2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine

C25H23N5 — CID 171686343

IUPAC2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccnc(N4CCNCC4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H23N5/c1-3-7-19(8-4-1)22-18-23(29-25(28-22)20-9-5-2-6-10-20)21-11-12-27-24(17-21)30-15-13-26-14-16-30/h1-12,17-18,26H,13-16H2
InChIKeyLJTZXNMDGHZVRG-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.28
Rot. Bonds4

About 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine

2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine (PubChem CID 171686343) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
PubChem CID171686343
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccnc(N4CCNCC4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H23N5/c1-3-7-19(8-4-1)22-18-23(29-25(28-22)20-9-5-2-6-10-20)21-11-12-27-24(17-21)30-15-13-26-14-16-30/h1-12,17-18,26H,13-16H2
InChIKeyLJTZXNMDGHZVRG-UHFFFAOYSA-N
XLogP4.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
CID 56766861
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
4-(2-piperazin-1-yl-4-pyridinyl)-2-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686350
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
CID 58229726
2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
CID 56766882
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
1-(5-phenyl-1H-pyrazol-3-yl)piperazine
CID 55146910

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine (CID 171686343) is 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine is c1ccc(-c2cc(-c3ccnc(N4CCNCC4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine?
The InChIKey is LJTZXNMDGHZVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-3-7-19(8-4-1)22-18-23(29-25(28-22)20-9-5-2-6-10-20)21-11-12-27-24(17-21)30-15-13-26-14-16-30/h1-12,17-18,26H,13-16H2.
What are the key properties of 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine?
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine has a molecular weight of 393.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 171686343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).