4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine

C31H28N6 — CID 3525048

IUPAC4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(C(c2ccccc2)N2CCN(c3cc(-c4ccccn4)nc(-c4ccncc4)n3)CC2)cc1
InChIInChI=1S/C31H28N6/c1-3-9-24(10-4-1)30(25-11-5-2-6-12-25)37-21-19-36(20-22-37)29-23-28(27-13-7-8-16-33-27)34-31(35-29)26-14-17-32-18-15-26/h1-18,23,30H,19-22H2
InChIKeySCILDYRRJYEIBN-UHFFFAOYSA-N
MW484.61 g/mol
LogP5.51
Rot. Bonds6

About 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine

4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine (PubChem CID 3525048) has the molecular formula C31H28N6 and a molecular weight of 484.61 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine
PubChem CID3525048
Molecular FormulaC31H28N6
Molecular Weight484.61 g/mol
Exact Mass484.24
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(C(c2ccccc2)N2CCN(c3cc(-c4ccccn4)nc(-c4ccncc4)n3)CC2)cc1
InChIInChI=1S/C31H28N6/c1-3-9-24(10-4-1)30(25-11-5-2-6-12-25)37-21-19-36(20-22-37)29-23-28(27-13-7-8-16-33-27)34-31(35-29)26-14-17-32-18-15-26/h1-18,23,30H,19-22H2
InChIKeySCILDYRRJYEIBN-UHFFFAOYSA-N
XLogP5.51
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.61
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine
CID 5233564
2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
CID 56766861
4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3526497
1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
CID 56767608
2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4682397
4-[2-(3-phenylmethoxyphenyl)-6-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 53326165
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
CID 122427629
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 56767679

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine (CID 3525048) is 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine is c1ccc(C(c2ccccc2)N2CCN(c3cc(-c4ccccn4)nc(-c4ccncc4)n3)CC2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is SCILDYRRJYEIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6/c1-3-9-24(10-4-1)30(25-11-5-2-6-12-25)37-21-19-36(20-22-37)29-23-28(27-13-7-8-16-33-27)34-31(35-29)26-14-17-32-18-15-26/h1-18,23,30H,19-22H2.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine?
4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 484.61 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 3525048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).