2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine

C21H23N3 — CID 166649577

IUPAC2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine
SMILESCc1ccc(CCc2ccc(CCc3cnc(C)nc3)nc2)cc1
InChIInChI=1S/C21H23N3/c1-16-3-5-18(6-4-16)7-8-19-9-11-21(24-13-19)12-10-20-14-22-17(2)23-15-20/h3-6,9,11,13-15H,7-8,10,12H2,1-2H3
InChIKeyFGRKWTGRDXOPAR-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.06
Rot. Bonds6

About 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine

2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine (PubChem CID 166649577) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine
PubChem CID166649577
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine
SMILESCc1ccc(CCc2ccc(CCc3cnc(C)nc3)nc2)cc1
InChIInChI=1S/C21H23N3/c1-16-3-5-18(6-4-16)7-8-19-9-11-21(24-13-19)12-10-20-14-22-17(2)23-15-20/h3-6,9,11,13-15H,7-8,10,12H2,1-2H3
InChIKeyFGRKWTGRDXOPAR-UHFFFAOYSA-N
XLogP4.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine?
The IUPAC name of 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine (CID 166649577) is 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine is Cc1ccc(CCc2ccc(CCc3cnc(C)nc3)nc2)cc1.
What is the InChIKey of 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine?
The InChIKey is FGRKWTGRDXOPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-3-5-18(6-4-16)7-8-19-9-11-21(24-13-19)12-10-20-14-22-17(2)23-15-20/h3-6,9,11,13-15H,7-8,10,12H2,1-2H3.
What are the key properties of 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine?
2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine has a molecular weight of 317.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine is sourced from PubChem (CID 166649577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).