5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine

C25H23FN2O — CID 141201282

IUPAC5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine
SMILESCc1ccccc1CN1C=C(c2ccc(OCc3ccccc3)c(F)c2)C=NC1
InChIInChI=1S/C25H23FN2O/c1-19-7-5-6-10-22(19)15-28-16-23(14-27-18-28)21-11-12-25(24(26)13-21)29-17-20-8-3-2-4-9-20/h2-14,16H,15,17-18H2,1H3
InChIKeyWDMRTJOVVZUCNR-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.60
Rot. Bonds6

About 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine

5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine (PubChem CID 141201282) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine.

Molecular Properties

Compound Name5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine
PubChem CID141201282
Molecular FormulaC25H23FN2O
Molecular Weight386.47 g/mol
Exact Mass386.18
IUPAC Name5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine
SMILESCc1ccccc1CN1C=C(c2ccc(OCc3ccccc3)c(F)c2)C=NC1
InChIInChI=1S/C25H23FN2O/c1-19-7-5-6-10-22(19)15-28-16-23(14-27-18-28)21-11-12-25(24(26)13-21)29-17-20-8-3-2-4-9-20/h2-14,16H,15,17-18H2,1H3
InChIKeyWDMRTJOVVZUCNR-UHFFFAOYSA-N
XLogP5.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluoro-4-phenylmethoxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 68836654
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68837803
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
3-[(2-chlorophenyl)methyl]-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68840984
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126618832
[3-[(2,4-difluorophenoxy)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19327246
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine?
The IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine (CID 141201282) is 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine.
What is the SMILES notation for 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine?
The canonical SMILES for 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine is Cc1ccccc1CN1C=C(c2ccc(OCc3ccccc3)c(F)c2)C=NC1.
What is the InChIKey of 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine?
The InChIKey is WDMRTJOVVZUCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O/c1-19-7-5-6-10-22(19)15-28-16-23(14-27-18-28)21-11-12-25(24(26)13-21)29-17-20-8-3-2-4-9-20/h2-14,16H,15,17-18H2,1H3.
What are the key properties of 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine?
5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine has a molecular weight of 386.47 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2-methylphenyl)methyl]-2H-pyrimidine is sourced from PubChem (CID 141201282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).