4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine

C20H26FN3O — CID 21256782

IUPAC4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
SMILESCc1c(OCCCCN2CCCCC2)ncnc1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-16-19(17-7-9-18(21)10-8-17)22-15-23-20(16)25-14-6-5-13-24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3
InChIKeyGYRAIEVXLCWNEA-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.24
Rot. Bonds7

About 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine

4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine (PubChem CID 21256782) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
PubChem CID21256782
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
SMILESCc1c(OCCCCN2CCCCC2)ncnc1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-16-19(17-7-9-18(21)10-8-17)22-15-23-20(16)25-14-6-5-13-24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3
InChIKeyGYRAIEVXLCWNEA-UHFFFAOYSA-N
XLogP4.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-fluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723363
1-[4-(3-bromo-2-methylphenoxy)butyl]piperidine
CID 176718659
4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 142664562
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
CID 54061741
[5-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920960
1-[4-(2,3,6-trimethylphenoxy)butyl]piperidine
CID 2262772
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
CID 3070797
4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 21256796
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine (CID 21256782) is 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine is Cc1c(OCCCCN2CCCCC2)ncnc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
The InChIKey is GYRAIEVXLCWNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-16-19(17-7-9-18(21)10-8-17)22-15-23-20(16)25-14-6-5-13-24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine has a molecular weight of 343.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine is sourced from PubChem (CID 21256782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).