4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine

C31H36N6O2 — CID 19894595

IUPAC4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine
SMILESCOc1ccc(OCCCCCCN2CCN(c3cc(-c4ccccn4)nc(-c4ccccn4)n3)CC2)cc1
InChIInChI=1S/C31H36N6O2/c1-38-25-12-14-26(15-13-25)39-23-9-3-2-8-18-36-19-21-37(22-20-36)30-24-29(27-10-4-6-16-32-27)34-31(35-30)28-11-5-7-17-33-28/h4-7,10-17,24H,2-3,8-9,18-23H2,1H3
InChIKeyFZIPRZFVLNCYEY-UHFFFAOYSA-N
MW524.67 g/mol
LogP5.37
Rot. Bonds12

About 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine

4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine (PubChem CID 19894595) has the molecular formula C31H36N6O2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine
PubChem CID19894595
Molecular FormulaC31H36N6O2
Molecular Weight524.67 g/mol
Exact Mass524.29
IUPAC Name4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine
SMILESCOc1ccc(OCCCCCCN2CCN(c3cc(-c4ccccn4)nc(-c4ccccn4)n3)CC2)cc1
InChIInChI=1S/C31H36N6O2/c1-38-25-12-14-26(15-13-25)39-23-9-3-2-8-18-36-19-21-37(22-20-36)30-24-29(27-10-4-6-16-32-27)34-31(35-30)28-11-5-7-17-33-28/h4-7,10-17,24H,2-3,8-9,18-23H2,1H3
InChIKeyFZIPRZFVLNCYEY-UHFFFAOYSA-N
XLogP5.37
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 4178655
6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol
CID 70352248
4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137118
4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137077
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25071067
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 155901264
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-[5-[4-[(E)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]pentyl]pyrrolidine
CID 97301886

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine?
The IUPAC name of 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine (CID 19894595) is 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine?
The canonical SMILES for 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine is COc1ccc(OCCCCCCN2CCN(c3cc(-c4ccccn4)nc(-c4ccccn4)n3)CC2)cc1.
What is the InChIKey of 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine?
The InChIKey is FZIPRZFVLNCYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O2/c1-38-25-12-14-26(15-13-25)39-23-9-3-2-8-18-36-19-21-37(22-20-36)30-24-29(27-10-4-6-16-32-27)34-31(35-30)28-11-5-7-17-33-28/h4-7,10-17,24H,2-3,8-9,18-23H2,1H3.
What are the key properties of 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine?
4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine has a molecular weight of 524.67 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine is sourced from PubChem (CID 19894595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).