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

C19H15F5N4O2 — CID 134291594

IUPAC2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)cc(F)c2)c(C)nc1OC(F)F
InChIInChI=1S/C19H15F5N4O2/c1-9-3-15(10(2)25-17(9)30-18(23)24)26-19-27-16(29)14(22)8-28(19)7-11-4-12(20)6-13(21)5-11/h3-6,8,18H,7H2,1-2H3,(H,26,27,29)
InChIKeyQKFGCRMWULEAMW-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.07
Rot. Bonds6

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

2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one (PubChem CID 134291594) has the molecular formula C19H15F5N4O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one
PubChem CID134291594
Molecular FormulaC19H15F5N4O2
Molecular Weight426.35 g/mol
Exact Mass426.11
IUPAC Name2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)cc(F)c2)c(C)nc1OC(F)F
InChIInChI=1S/C19H15F5N4O2/c1-9-3-15(10(2)25-17(9)30-18(23)24)26-19-27-16(29)14(22)8-28(19)7-11-4-12(20)6-13(21)5-11/h3-6,8,18H,7H2,1-2H3,(H,26,27,29)
InChIKeyQKFGCRMWULEAMW-UHFFFAOYSA-N
XLogP4.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.07
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-difluorophenyl)methyl]-5-fluoropyrimidin-4-one?
The IUPAC name of 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one (CID 134291594) is 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one.
What is the SMILES notation for 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one?
The canonical SMILES for 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one is Cc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)cc(F)c2)c(C)nc1OC(F)F.
What is the InChIKey of 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one?
The InChIKey is QKFGCRMWULEAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O2/c1-9-3-15(10(2)25-17(9)30-18(23)24)26-19-27-16(29)14(22)8-28(19)7-11-4-12(20)6-13(21)5-11/h3-6,8,18H,7H2,1-2H3,(H,26,27,29).
What are the key properties of 2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one?
2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one has a molecular weight of 426.35 g/mol, XLogP of 4.07, 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-difluorophenyl)methyl]-5-fluoropyrimidin-4-one is sourced from PubChem (CID 134291594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).