2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine

C22H28N2 — CID 142160804

IUPAC2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCCc1ccc(C)cc1CCc1c(C)cccc1C1=NCCCN1
InChIInChI=1S/C22H28N2/c1-4-18-10-9-16(2)15-19(18)11-12-20-17(3)7-5-8-21(20)22-23-13-6-14-24-22/h5,7-10,15H,4,6,11-14H2,1-3H3,(H,23,24)
InChIKeyJDTJCAKOGBDDMB-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.39
Rot. Bonds5

About 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 142160804) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID142160804
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCCc1ccc(C)cc1CCc1c(C)cccc1C1=NCCCN1
InChIInChI=1S/C22H28N2/c1-4-18-10-9-16(2)15-19(18)11-12-20-17(3)7-5-8-21(20)22-23-13-6-14-24-22/h5,7-10,15H,4,6,11-14H2,1-3H3,(H,23,24)
InChIKeyJDTJCAKOGBDDMB-UHFFFAOYSA-N
XLogP4.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(2-bromo-5-methylphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 143153209
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 137209925
[4-ethyl-3-[[2-fluoro-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methylsulfanyl]phenyl] thiohypofluorite
CID 143152940
2-[3-chloro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 69239082
1,2-diethyl-4-methylbenzene;ethane;1-(6-methylcyclohexa-1,5-dien-1-yl)ethenamine;2-[2-(naphthalen-1-ylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine;propane
CID 142160898
2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 159432047
2-[2-[(4-methylnaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744884
2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen
CID 142160816
2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 20628409
2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-3-chlorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 20628407
2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 126982364
N-[(5-bromo-2-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 20628576

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine (CID 142160804) is 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine is CCc1ccc(C)cc1CCc1c(C)cccc1C1=NCCCN1.
What is the InChIKey of 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is JDTJCAKOGBDDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-4-18-10-9-16(2)15-19(18)11-12-20-17(3)7-5-8-21(20)22-23-13-6-14-24-22/h5,7-10,15H,4,6,11-14H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 320.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 142160804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).