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

C30H35Cl2FN4O4 — CID 162469308

IUPAC2-[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
SMILESCOc1cc(C2=NCCCN2)ccc1OCc1cccc(COc2ccc(C3=NCCCN3)cc2OC)c1F.Cl.Cl
InChIInChI=1S/C30H33FN4O4.2ClH/c1-36-26-16-20(29-32-12-4-13-33-29)8-10-24(26)38-18-22-6-3-7-23(28(22)31)19-39-25-11-9-21(17-27(25)37-2)30-34-14-5-15-35-30;;/h3,6-11,16-17H,4-5,12-15,18-19H2,1-2H3,(H,32,33)(H,34,35);2*1H
InChIKeyBFJYYJDVAGJHEF-UHFFFAOYSA-N
MW605.54 g/mol
LogP5.32
Rot. Bonds10

About 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

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 (PubChem CID 162469308) has the molecular formula C30H35Cl2FN4O4 and a molecular weight of 605.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162469308
Molecular FormulaC30H35Cl2FN4O4
Molecular Weight605.54 g/mol
Exact Mass604.20
IUPAC Name2-[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
SMILESCOc1cc(C2=NCCCN2)ccc1OCc1cccc(COc2ccc(C3=NCCCN3)cc2OC)c1F.Cl.Cl
InChIInChI=1S/C30H33FN4O4.2ClH/c1-36-26-16-20(29-32-12-4-13-33-29)8-10-24(26)38-18-22-6-3-7-23(28(22)31)19-39-25-11-9-21(17-27(25)37-2)30-34-14-5-15-35-30;;/h3,6-11,16-17H,4-5,12-15,18-19H2,1-2H3,(H,32,33)(H,34,35);2*1H
InChIKeyBFJYYJDVAGJHEF-UHFFFAOYSA-N
XLogP5.32
TPSA85.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.54
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252898
2-[3-methoxy-4-[(2-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82239905
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
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-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252921
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]methyl]-N,N-dimethylaniline
CID 82240251
4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-2-fluorophenyl]methoxy]-3-fluorobenzenecarboximidamide
CID 166781354
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282
2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C2=NCCCN2)ccc1OCc1cccc(COc2ccc(C3=NCCCN3)cc2OC)c1F.Cl.Cl.
What is the InChIKey of 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?
The InChIKey is BFJYYJDVAGJHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O4.2ClH/c1-36-26-16-20(29-32-12-4-13-33-29)8-10-24(26)38-18-22-6-3-7-23(28(22)31)19-39-25-11-9-21(17-27(25)37-2)30-34-14-5-15-35-30;;/h3,6-11,16-17H,4-5,12-15,18-19H2,1-2H3,(H,32,33)(H,34,35);2*1H.
What are the key properties of 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?
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 has a molecular weight of 605.54 g/mol, XLogP of 5.32, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162469308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).