2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine

C27H24F2N2 — CID 139875379

IUPAC2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine
SMILESC/C=C/CCc1cnc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C27H24F2N2/c1-2-3-4-5-20-17-30-27(31-18-20)23-12-15-25-22(16-23)11-10-21(26(25)29)9-6-19-7-13-24(28)14-8-19/h2-3,7-8,10-18H,4-6,9H2,1H3/b3-2+
InChIKeyPNTXEKNHYBLYDW-NSCUHMNNSA-N
MW414.50 g/mol
LogP6.87
Rot. Bonds7

About 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine

2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine (PubChem CID 139875379) has the molecular formula C27H24F2N2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine.

Molecular Properties

Compound Name2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine
PubChem CID139875379
Molecular FormulaC27H24F2N2
Molecular Weight414.50 g/mol
Exact Mass414.19
IUPAC Name2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine
SMILESC/C=C/CCc1cnc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C27H24F2N2/c1-2-3-4-5-20-17-30-27(31-18-20)23-12-15-25-22(16-23)11-10-21(26(25)29)9-6-19-7-13-24(28)14-8-19/h2-3,7-8,10-18H,4-6,9H2,1H3/b3-2+
InChIKeyPNTXEKNHYBLYDW-NSCUHMNNSA-N
XLogP6.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]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

1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
CID 139872490
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139872846
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139875702
4-[2-[6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1-fluoronaphthalen-2-yl]ethyl]benzonitrile
CID 139874761
5-but-3-enyl-2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]pyrimidine
CID 139872667
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139873466
1-fluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139876386
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-[(E)-pent-3-enyl]pyridine
CID 139872124
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentylpyrimidine
CID 139870946
1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]ethynyl]naphthalene
CID 139876924
1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethynyl]naphthalene
CID 139877514
2-[2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-[(E)-pent-3-enyl]pyridine
CID 139874621

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine?
The IUPAC name of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine (CID 139875379) is 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine.
What is the SMILES notation for 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine?
The canonical SMILES for 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine is C/C=C/CCc1cnc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1.
What is the InChIKey of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine?
The InChIKey is PNTXEKNHYBLYDW-NSCUHMNNSA-N. The full InChI is InChI=1S/C27H24F2N2/c1-2-3-4-5-20-17-30-27(31-18-20)23-12-15-25-22(16-23)11-10-21(26(25)29)9-6-19-7-13-24(28)14-8-19/h2-3,7-8,10-18H,4-6,9H2,1H3/b3-2+.
What are the key properties of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine?
2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine has a molecular weight of 414.50 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine is sourced from PubChem (CID 139875379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).