5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine

C27H24F4N2O — CID 139874547

IUPAC5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine
SMILESCCCCc1cnc(-c2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C27H24F4N2O/c1-2-3-4-18-15-32-26(33-16-18)21-10-11-22-20(14-21)9-8-19(25(22)29)7-5-17-6-12-24(23(28)13-17)34-27(30)31/h6,8-16,27H,2-5,7H2,1H3
InChIKeyAFZXREBSDHVVBK-UHFFFAOYSA-N
MW468.49 g/mol
LogP7.30
Rot. Bonds9

About 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine

5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine (PubChem CID 139874547) has the molecular formula C27H24F4N2O and a molecular weight of 468.49 g/mol. Its IUPAC name is 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine
PubChem CID139874547
Molecular FormulaC27H24F4N2O
Molecular Weight468.49 g/mol
Exact Mass468.18
IUPAC Name5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine
SMILESCCCCc1cnc(-c2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C27H24F4N2O/c1-2-3-4-18-15-32-26(33-16-18)21-10-11-22-20(14-21)9-8-19(25(22)29)7-5-17-6-12-24(23(28)13-17)34-27(30)31/h6,8-16,27H,2-5,7H2,1H3
InChIKeyAFZXREBSDHVVBK-UHFFFAOYSA-N
XLogP7.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.49
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]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-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyrimidine
CID 139871136
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139872846
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentylpyrimidine
CID 139870946
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139875231
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]naphthalene
CID 139874649
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139872902
6-(2,6-difluoro-4-hexoxyphenyl)-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139870950
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872431
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139873908
5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]pyrimidine
CID 139872639
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexoxyphenyl)ethyl]naphthalene
CID 139871004

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine?
The IUPAC name of 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine (CID 139874547) is 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine.
What is the SMILES notation for 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine?
The canonical SMILES for 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine is CCCCc1cnc(-c2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine?
The InChIKey is AFZXREBSDHVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N2O/c1-2-3-4-18-15-32-26(33-16-18)21-10-11-22-20(14-21)9-8-19(25(22)29)7-5-17-6-12-24(23(28)13-17)34-27(30)31/h6,8-16,27H,2-5,7H2,1H3.
What are the key properties of 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine?
5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine has a molecular weight of 468.49 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine is sourced from PubChem (CID 139874547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).