2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine

C27H26ClFN2O — CID 139875026

IUPAC2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
SMILESCOCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1
InChIInChI=1S/C27H26ClFN2O/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
InChIKeyUZVODNPPFXFELO-UHFFFAOYSA-N
MW448.97 g/mol
LogP6.18
Rot. Bonds9

About 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine

2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine (PubChem CID 139875026) has the molecular formula C27H26ClFN2O and a molecular weight of 448.97 g/mol. Its IUPAC name is 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
PubChem CID139875026
Molecular FormulaC27H26ClFN2O
Molecular Weight448.97 g/mol
Exact Mass448.17
IUPAC Name2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
SMILESCOCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1
InChIInChI=1S/C27H26ClFN2O/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
InChIKeyUZVODNPPFXFELO-UHFFFAOYSA-N
XLogP6.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.97
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
CID 139872502
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-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine
CID 139875515
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871149
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-hexylpyrimidine
CID 139873484
2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
CID 139870838
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139875702
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
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139875034

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
The IUPAC name of 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine (CID 139875026) is 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine is COCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
The InChIKey is UZVODNPPFXFELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN2O/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-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine?
2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine has a molecular weight of 448.97 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 139875026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).