4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine

C32H29N5 — CID 5233564

IUPAC4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C32H29N5/c1-4-11-25(12-5-1)29-23-30(35-32(34-29)28-17-10-18-33-24-28)36-19-21-37(22-20-36)31(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-18,23-24,31H,19-22H2
InChIKeyHJQMRDUWIHPUKG-UHFFFAOYSA-N
MW483.62 g/mol
LogP6.12
Rot. Bonds6

About 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine

4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine (PubChem CID 5233564) has the molecular formula C32H29N5 and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine
PubChem CID5233564
Molecular FormulaC32H29N5
Molecular Weight483.62 g/mol
Exact Mass483.24
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C32H29N5/c1-4-11-25(12-5-1)29-23-30(35-32(34-29)28-17-10-18-33-24-28)36-19-21-37(22-20-36)31(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-18,23-24,31H,19-22H2
InChIKeyHJQMRDUWIHPUKG-UHFFFAOYSA-N
XLogP6.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine
CID 3525048
1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 175823757
4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 175342188
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine
CID 56767086
1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one
CID 56767288
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 156865958
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one
CID 56767355

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine (CID 5233564) is 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine is c1ccc(-c2cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine?
The InChIKey is HJQMRDUWIHPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5/c1-4-11-25(12-5-1)29-23-30(35-32(34-29)28-17-10-18-33-24-28)36-19-21-37(22-20-36)31(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-18,23-24,31H,19-22H2.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine?
4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine has a molecular weight of 483.62 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 5233564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).