2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine

C26H23F3N2 — CID 139875515

IUPAC2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine
SMILESCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C26H23F3N2/c1-2-17-15-30-25(31-16-17)12-6-18-4-10-22-21(13-18)9-8-20(26(22)29)7-3-19-5-11-23(27)24(28)14-19/h4-5,8-11,13-16H,2-3,6-7,12H2,1H3
InChIKeyWWNOTPXNQZECFY-UHFFFAOYSA-N
MW420.48 g/mol
LogP6.18
Rot. Bonds7

About 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine

2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine (PubChem CID 139875515) has the molecular formula C26H23F3N2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine
PubChem CID139875515
Molecular FormulaC26H23F3N2
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine
SMILESCCc1cnc(CCc2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C26H23F3N2/c1-2-17-15-30-25(31-16-17)12-6-18-4-10-22-21(13-18)9-8-20(26(22)29)7-3-19-5-11-23(27)24(28)14-19/h4-5,8-11,13-16H,2-3,6-7,12H2,1H3
InChIKeyWWNOTPXNQZECFY-UHFFFAOYSA-N
XLogP6.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine 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-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyrimidine
CID 139873484
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine
CID 139873515
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine
CID 139873560
2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
CID 139875026
5-butoxy-2-[2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139872835
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyridine
CID 139872731
5-but-3-enyl-2-[2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139874315
2-[2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-hexylpyrimidine
CID 139874758
6-[2-(4-butoxyphenyl)ethyl]-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139873179
2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
CID 139872502
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentylpyrimidine
CID 139870946
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139875702

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine?
The IUPAC name of 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine (CID 139875515) is 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine?
The canonical SMILES for 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine is CCc1cnc(CCc2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine?
The InChIKey is WWNOTPXNQZECFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2/c1-2-17-15-30-25(31-16-17)12-6-18-4-10-22-21(13-18)9-8-20(26(22)29)7-3-19-5-11-23(27)24(28)14-19/h4-5,8-11,13-16H,2-3,6-7,12H2,1H3.
What are the key properties of 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine?
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine has a molecular weight of 420.48 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine is sourced from PubChem (CID 139875515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).