4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine

C23H33N3O — CID 118722992

IUPAC4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
SMILESCc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H33N3O/c1-18-17-20(25-21(24-18)19-11-7-6-8-12-19)27-16-10-15-26-22(2,3)13-9-14-23(26,4)5/h6-8,11-12,17H,9-10,13-16H2,1-5H3
InChIKeyBUBZNVDCGJNOPR-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.26
Rot. Bonds6

About 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine

4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine (PubChem CID 118722992) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
PubChem CID118722992
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
SMILESCc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H33N3O/c1-18-17-20(25-21(24-18)19-11-7-6-8-12-19)27-16-10-15-26-22(2,3)13-9-14-23(26,4)5/h6-8,11-12,17H,9-10,13-16H2,1-5H3
InChIKeyBUBZNVDCGJNOPR-UHFFFAOYSA-N
XLogP5.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.26
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine?
The IUPAC name of 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine (CID 118722992) is 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine.
What is the SMILES notation for 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine?
The canonical SMILES for 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine is Cc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine?
The InChIKey is BUBZNVDCGJNOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-18-17-20(25-21(24-18)19-11-7-6-8-12-19)27-16-10-15-26-22(2,3)13-9-14-23(26,4)5/h6-8,11-12,17H,9-10,13-16H2,1-5H3.
What are the key properties of 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine?
4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine has a molecular weight of 367.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine is sourced from PubChem (CID 118722992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).