4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine

C18H14F3N3O2 — CID 135246831

IUPAC4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
SMILESCOc1cc(F)ccc1-c1cncnc1Oc1cnc(C(F)F)c(C)c1
InChIInChI=1S/C18H14F3N3O2/c1-10-5-12(7-23-16(10)17(20)21)26-18-14(8-22-9-24-18)13-4-3-11(19)6-15(13)25-2/h3-9,17H,1-2H3
InChIKeyQMFMEMYYLPXDOD-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.72
Rot. Bonds5

About 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine

4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine (PubChem CID 135246831) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
PubChem CID135246831
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
SMILESCOc1cc(F)ccc1-c1cncnc1Oc1cnc(C(F)F)c(C)c1
InChIInChI=1S/C18H14F3N3O2/c1-10-5-12(7-23-16(10)17(20)21)26-18-14(8-22-9-24-18)13-4-3-11(19)6-15(13)25-2/h3-9,17H,1-2H3
InChIKeyQMFMEMYYLPXDOD-UHFFFAOYSA-N
XLogP4.72
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluoro-2-methoxyphenyl)-4-(4-methylphenoxy)pyrimidine
CID 135246927
4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 126714412
5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235905
5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235968
4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-[(3Z,5Z)-4-methoxyocta-3,5-dien-3-yl]pyrimidine
CID 135246841
5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235718
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxyboronic acid
CID 177254543
4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine
CID 171619551
2-(4-fluoro-2-methoxyphenyl)-7-methylcyclohepta-2,4,6-trien-1-one
CID 118330524
4-(4-fluoro-2-methoxyphenyl)-N-methylpyridin-3-amine
CID 70663207
2-(difluoromethyl)-4-fluoro-5-methoxy-3-methylpyridine
CID 130080514

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine?
The IUPAC name of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine (CID 135246831) is 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine is COc1cc(F)ccc1-c1cncnc1Oc1cnc(C(F)F)c(C)c1.
What is the InChIKey of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine?
The InChIKey is QMFMEMYYLPXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-5-12(7-23-16(10)17(20)21)26-18-14(8-22-9-24-18)13-4-3-11(19)6-15(13)25-2/h3-9,17H,1-2H3.
What are the key properties of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine?
4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine has a molecular weight of 361.32 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 135246831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).