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

C17H17BrN2O — CID 82252851

IUPAC2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESBrc1ccc(COc2ccccc2C2=NCCCN2)cc1
InChIInChI=1S/C17H17BrN2O/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)17-19-10-3-11-20-17/h1-2,4-9H,3,10-12H2,(H,19,20)
InChIKeyWIJZBORSVLMRJE-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.77
Rot. Bonds4

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

2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82252851) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82252851
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESBrc1ccc(COc2ccccc2C2=NCCCN2)cc1
InChIInChI=1S/C17H17BrN2O/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)17-19-10-3-11-20-17/h1-2,4-9H,3,10-12H2,(H,19,20)
InChIKeyWIJZBORSVLMRJE-UHFFFAOYSA-N
XLogP3.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-bromophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240374
2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
CID 82247194
8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
CID 82240060
2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239973
2-[4-[(4-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240381
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
2-[2-[1-[5-bromo-2-(methoxymethyl)phenyl]propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 143153078
2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 131884841
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671
2-[(4-bromophenyl)methyl]-1,4,5,6-tetrahydropyrimidine
CID 126982340
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82252851) is 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine is Brc1ccc(COc2ccccc2C2=NCCCN2)cc1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is WIJZBORSVLMRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)17-19-10-3-11-20-17/h1-2,4-9H,3,10-12H2,(H,19,20).
What are the key properties of 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 345.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82252851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).