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

C18H19ClN2O — CID 82239973

IUPAC2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESClc1ccc(COCc2ccccc2C2=NCCCN2)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-8-6-14(7-9-16)12-22-13-15-4-1-2-5-17(15)18-20-10-3-11-21-18/h1-2,4-9H,3,10-13H2,(H,20,21)
InChIKeyQZLUAGPENJBWCA-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.80
Rot. Bonds5

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

2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82239973) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82239973
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESClc1ccc(COCc2ccccc2C2=NCCCN2)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-8-6-14(7-9-16)12-22-13-15-4-1-2-5-17(15)18-20-10-3-11-21-18/h1-2,4-9H,3,10-13H2,(H,20,21)
InChIKeyQZLUAGPENJBWCA-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-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239974
2-[4-[(2-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249692
2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252851
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
3-(4-chlorophenyl)-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82252810
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915521
2-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744993
2-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744756
2-[2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 11311265
N-[[2-(4-chlorophenyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928080
2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11265984

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82239973) is 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine is Clc1ccc(COCc2ccccc2C2=NCCCN2)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is QZLUAGPENJBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-8-6-14(7-9-16)12-22-13-15-4-1-2-5-17(15)18-20-10-3-11-21-18/h1-2,4-9H,3,10-13H2,(H,20,21).
What are the key properties of 2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-[(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-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82239973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).