2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one

C20H17F5N4O2 — CID 134464282

IUPAC2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)c(C)c(F)c2)c(C)nc1OC(F)F
InChIInChI=1S/C20H17F5N4O2/c1-9-4-16(11(3)26-18(9)31-19(24)25)27-20-28-17(30)15(23)8-29(20)7-12-5-13(21)10(2)14(22)6-12/h4-6,8,19H,7H2,1-3H3,(H,27,28,30)
InChIKeyOTSDYHBIQARCNJ-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.37
Rot. Bonds6

About 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one

2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one (PubChem CID 134464282) has the molecular formula C20H17F5N4O2 and a molecular weight of 440.37 g/mol. Its IUPAC name is 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one
PubChem CID134464282
Molecular FormulaC20H17F5N4O2
Molecular Weight440.37 g/mol
Exact Mass440.13
IUPAC Name2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)c(C)c(F)c2)c(C)nc1OC(F)F
InChIInChI=1S/C20H17F5N4O2/c1-9-4-16(11(3)26-18(9)31-19(24)25)27-20-28-17(30)15(23)8-29(20)7-12-5-13(21)10(2)14(22)6-12/h4-6,8,19H,7H2,1-3H3,(H,27,28,30)
InChIKeyOTSDYHBIQARCNJ-UHFFFAOYSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one?
The IUPAC name of 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one (CID 134464282) is 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one.
What is the SMILES notation for 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one?
The canonical SMILES for 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one is Cc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)c(C)c(F)c2)c(C)nc1OC(F)F.
What is the InChIKey of 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one?
The InChIKey is OTSDYHBIQARCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N4O2/c1-9-4-16(11(3)26-18(9)31-19(24)25)27-20-28-17(30)15(23)8-29(20)7-12-5-13(21)10(2)14(22)6-12/h4-6,8,19H,7H2,1-3H3,(H,27,28,30).
What are the key properties of 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one?
2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one has a molecular weight of 440.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one is sourced from PubChem (CID 134464282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).