2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine

C18H19ClN2O — CID 82239974

IUPAC2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESClc1ccc(COCc2cccc(C3=NCCCN3)c2)cc1
InChIInChI=1S/C18H19ClN2O/c19-17-7-5-14(6-8-17)12-22-13-15-3-1-4-16(11-15)18-20-9-2-10-21-18/h1,3-8,11H,2,9-10,12-13H2,(H,20,21)
InChIKeyRTLZBKKNRXTDFE-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.80
Rot. Bonds5

About 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine

2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82239974) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82239974
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESClc1ccc(COCc2cccc(C3=NCCCN3)c2)cc1
InChIInChI=1S/C18H19ClN2O/c19-17-7-5-14(6-8-17)12-22-13-15-3-1-4-16(11-15)18-20-9-2-10-21-18/h1,3-8,11H,2,9-10,12-13H2,(H,20,21)
InChIKeyRTLZBKKNRXTDFE-UHFFFAOYSA-N
XLogP3.80
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239973
N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine
CID 82244191
2-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252846
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
CID 58137546
2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240383
2-[4-[(2-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249692
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888
8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
CID 82240060
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252898

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82239974) is 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine is Clc1ccc(COCc2cccc(C3=NCCCN3)c2)cc1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is RTLZBKKNRXTDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-17-7-5-14(6-8-17)12-22-13-15-3-1-4-16(11-15)18-20-9-2-10-21-18/h1,3-8,11H,2,9-10,12-13H2,(H,20,21).
What are the key properties of 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 314.82 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82239974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).