2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine

C27H26F2N2O — CID 139872502

IUPAC2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
SMILESCOCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C27H26F2N2O/c1-32-15-14-21-17-30-26(31-18-21)13-6-20-5-12-25-23(16-20)9-8-22(27(25)29)7-2-19-3-10-24(28)11-4-19/h3-5,8-12,16-18H,2,6-7,13-15H2,1H3
InChIKeyRBIQCXNAKDBPTL-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.67
Rot. Bonds9

About 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine

2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine (PubChem CID 139872502) has the molecular formula C27H26F2N2O and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
PubChem CID139872502
Molecular FormulaC27H26F2N2O
Molecular Weight432.51 g/mol
Exact Mass432.20
IUPAC Name2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
SMILESCOCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C27H26F2N2O/c1-32-15-14-21-17-30-26(31-18-21)13-6-20-5-12-25-23(16-20)9-8-22(27(25)29)7-2-19-3-10-24(28)11-4-19/h3-5,8-12,16-18H,2,6-7,13-15H2,1H3
InChIKeyRBIQCXNAKDBPTL-UHFFFAOYSA-N
XLogP5.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
CID 139875026
4-[2-[1-fluoro-6-[2-[5-(3-methoxypropyl)pyrimidin-2-yl]ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874349
2-[2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(3-methoxypropyl)pyrimidine
CID 139874907
2-[2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyrimidine
CID 139873394
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine
CID 139875515
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(methoxymethyl)pyrimidine
CID 139871217
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139873968
5-but-3-enyl-2-[2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139872944
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyrimidine
CID 139873484
2-[2-[5-fluoro-6-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-pentylpyrimidine
CID 139875076
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139875034
5-butoxy-2-[2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139872835

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
The IUPAC name of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine (CID 139872502) is 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine is COCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
The InChIKey is RBIQCXNAKDBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N2O/c1-32-15-14-21-17-30-26(31-18-21)13-6-20-5-12-25-23(16-20)9-8-22(27(25)29)7-2-19-3-10-24(28)11-4-19/h3-5,8-12,16-18H,2,6-7,13-15H2,1H3.
What are the key properties of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine has a molecular weight of 432.51 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 139872502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).