2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine

C19H16F2N2O — CID 15114080

IUPAC2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(-c3ccc(OC(F)F)cc3)cc2)nc1
InChIInChI=1S/C19H16F2N2O/c1-2-13-11-22-18(23-12-13)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24-19(20)21/h3-12,19H,2H2,1H3
InChIKeyRRRYMROVPSVOQD-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.97
Rot. Bonds5

About 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine

2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine (PubChem CID 15114080) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
PubChem CID15114080
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
SMILESCCc1cnc(-c2ccc(-c3ccc(OC(F)F)cc3)cc2)nc1
InChIInChI=1S/C19H16F2N2O/c1-2-13-11-22-18(23-12-13)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24-19(20)21/h3-12,19H,2H2,1H3
InChIKeyRRRYMROVPSVOQD-UHFFFAOYSA-N
XLogP4.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-decyl-2-[4-[4-(difluoromethoxy)phenyl]phenyl]pyrimidine
CID 19436440
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
2-[4-(difluoromethylsulfanyl)phenyl]-5-ethylpyrimidine
CID 19436410
2-[4-(difluoromethoxy)phenyl]-5-[2-(4-heptylcyclohexyl)ethyl]pyrimidine
CID 19436252
6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol
CID 86159674
[4-(difluoromethoxy)phenyl] 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate
CID 20708922
5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine
CID 19991217
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
5-octyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]pyrimidine
CID 19436226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine (CID 15114080) is 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine is CCc1cnc(-c2ccc(-c3ccc(OC(F)F)cc3)cc2)nc1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine?
The InChIKey is RRRYMROVPSVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c1-2-13-11-22-18(23-12-13)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24-19(20)21/h3-12,19H,2H2,1H3.
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine?
2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine has a molecular weight of 326.35 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine is sourced from PubChem (CID 15114080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).