5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine

C19H16F2N2O3 — CID 167327400

IUPAC5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine
SMILESFC(F)Oc1cnc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C19H16F2N2O3/c20-18(21)26-16-11-22-19(25-13-15-9-5-2-6-10-15)23-17(16)24-12-14-7-3-1-4-8-14/h1-11,18H,12-13H2
InChIKeyANZLYNILUHVYDU-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.24
Rot. Bonds8

About 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine

5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine (PubChem CID 167327400) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine
PubChem CID167327400
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine
SMILESFC(F)Oc1cnc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C19H16F2N2O3/c20-18(21)26-16-11-22-19(25-13-15-9-5-2-6-10-15)23-17(16)24-12-14-7-3-1-4-8-14/h1-11,18H,12-13H2
InChIKeyANZLYNILUHVYDU-UHFFFAOYSA-N
XLogP4.24
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-6-methyl-2-phenylmethoxy-3-pyridinyl]methanamine
CID 139543711
[2,4-bis(phenylmethoxy)pyrimidin-5-yl] 4-methylbenzenesulfonate
CID 174898792
5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine
CID 67958447
2-phenylmethoxy-7H-purin-8-amine
CID 130154734
2-(difluoromethoxy)-4-phenylmethoxypyridine
CID 18994132
4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine
CID 59686866
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-yloxypyrazin-2-yl]methanol
CID 57145342
4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
CID 68981989
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-phenylmethoxypyridine
CID 21262814
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole
CID 158287179

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine?
The IUPAC name of 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine (CID 167327400) is 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine.
What is the SMILES notation for 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine?
The canonical SMILES for 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine is FC(F)Oc1cnc(OCc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine?
The InChIKey is ANZLYNILUHVYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c20-18(21)26-16-11-22-19(25-13-15-9-5-2-6-10-15)23-17(16)24-12-14-7-3-1-4-8-14/h1-11,18H,12-13H2.
What are the key properties of 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine?
5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine has a molecular weight of 358.34 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2,4-bis(phenylmethoxy)pyrimidine is sourced from PubChem (CID 167327400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).