2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine

C18H20N2O — CID 82249038

IUPAC2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(CCOc2ccc(C3=NCCCN3)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-15(6-3-1)11-14-21-17-9-7-16(8-10-17)18-19-12-4-13-20-18/h1-3,5-10H,4,11-14H2,(H,19,20)
InChIKeyBQEMCIIKZCLUCB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.05
Rot. Bonds5

About 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine

2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82249038) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82249038
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(CCOc2ccc(C3=NCCCN3)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-15(6-3-1)11-14-21-17-9-7-16(8-10-17)18-19-12-4-13-20-18/h1-3,5-10H,4,11-14H2,(H,19,20)
InChIKeyBQEMCIIKZCLUCB-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[5-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)phenoxy]pentoxy]phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 127041641
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240172
2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162335122
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169
3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
2-[4-[[3-methyl-5-[[4-(1,2,3,4-tetrahydropyridin-6-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 159493128
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
2,6-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine;dihydrochloride
CID 70695580

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82249038) is 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine is c1ccc(CCOc2ccc(C3=NCCCN3)cc2)cc1.
What is the InChIKey of 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is BQEMCIIKZCLUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-5-15(6-3-1)11-14-21-17-9-7-16(8-10-17)18-19-12-4-13-20-18/h1-3,5-10H,4,11-14H2,(H,19,20).
What are the key properties of 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 280.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethoxy)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82249038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).