4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine

C20H17F4N3 — CID 135246736

IUPAC4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine
SMILESCCc1cc(-c2cncnc2Cc2cnc(C(F)F)c(C)c2)c(F)cc1F
InChIInChI=1S/C20H17F4N3/c1-3-13-6-14(17(22)7-16(13)21)15-9-25-10-27-18(15)5-12-4-11(2)19(20(23)24)26-8-12/h4,6-10,20H,3,5H2,1-2H3
InChIKeyXYQQREYIEAUIKW-UHFFFAOYSA-N
MW375.37 g/mol
LogP5.22
Rot. Bonds5

About 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine

4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine (PubChem CID 135246736) has the molecular formula C20H17F4N3 and a molecular weight of 375.37 g/mol. Its IUPAC name is 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine
PubChem CID135246736
Molecular FormulaC20H17F4N3
Molecular Weight375.37 g/mol
Exact Mass375.14
IUPAC Name4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine
SMILESCCc1cc(-c2cncnc2Cc2cnc(C(F)F)c(C)c2)c(F)cc1F
InChIInChI=1S/C20H17F4N3/c1-3-13-6-14(17(22)7-16(13)21)15-9-25-10-27-18(15)5-12-4-11(2)19(20(23)24)26-8-12/h4,6-10,20H,3,5H2,1-2H3
InChIKeyXYQQREYIEAUIKW-UHFFFAOYSA-N
XLogP5.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine with MolForge

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Related Compounds

2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine
CID 135246908
3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine
CID 130178535
CID 174505326
CID 174505326
2-(difluoromethyl)-5-ethyl-4-fluoropyridine
CID 176699553
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
6-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 130095854
4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 135246831
2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine
CID 130096365
5-ethyl-2-fluoro-3-methylpyridine
CID 67989338
2-(difluoromethyl)-5-ethyl-4-methylpyridine
CID 176699020
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
CID 118837882
7-[5,6-bis(difluoromethyl)pyrazin-2-yl]-4,5-difluoro-3H-1,3-benzoxazol-2-one
CID 178072960

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine?
The IUPAC name of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine (CID 135246736) is 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine.
What is the SMILES notation for 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine?
The canonical SMILES for 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine is CCc1cc(-c2cncnc2Cc2cnc(C(F)F)c(C)c2)c(F)cc1F.
What is the InChIKey of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine?
The InChIKey is XYQQREYIEAUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3/c1-3-13-6-14(17(22)7-16(13)21)15-9-25-10-27-18(15)5-12-4-11(2)19(20(23)24)26-8-12/h4,6-10,20H,3,5H2,1-2H3.
What are the key properties of 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine?
4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine has a molecular weight of 375.37 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]methyl]-5-(5-ethyl-2,4-difluorophenyl)pyrimidine is sourced from PubChem (CID 135246736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).