2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine

C18H18ClFN2O2 — CID 82252898

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cc(C2=NCCCN2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-23-17-10-12(18-21-8-3-9-22-18)6-7-16(17)24-11-13-14(19)4-2-5-15(13)20/h2,4-7,10H,3,8-9,11H2,1H3,(H,21,22)
InChIKeyYDMPHSSNBCSBIM-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.81
Rot. Bonds5

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine

2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82252898) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82252898
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cc(C2=NCCCN2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-23-17-10-12(18-21-8-3-9-22-18)6-7-16(17)24-11-13-14(19)4-2-5-15(13)20/h2,4-7,10H,3,8-9,11H2,1H3,(H,21,22)
InChIKeyYDMPHSSNBCSBIM-UHFFFAOYSA-N
XLogP3.81
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine with MolForge

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Related Compounds

2-[4-[[2-fluoro-3-[[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]methyl]phenyl]methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine;dihydrochloride
CID 162469308
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252921
2-[3-methoxy-4-[(2-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82239905
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
[2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 46165072
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(methylazaniumyl)propyl]azanium dichloride
CID 44666467

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine (CID 82252898) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine is COc1cc(C2=NCCCN2)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is YDMPHSSNBCSBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-23-17-10-12(18-21-8-3-9-22-18)6-7-16(17)24-11-13-14(19)4-2-5-15(13)20/h2,4-7,10H,3,8-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 348.81 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82252898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).