4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one

C13H13F2N3O — CID 135434818

IUPAC4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C13H13F2N3O/c1-7-11(17-13(16-2)18-12(7)19)6-8-9(14)4-3-5-10(8)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyVVWXTOFZZQYVNC-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.99
Rot. Bonds3

About 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135434818) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135434818
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C13H13F2N3O/c1-7-11(17-13(16-2)18-12(7)19)6-8-9(14)4-3-5-10(8)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyVVWXTOFZZQYVNC-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one (CID 135434818) is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is VVWXTOFZZQYVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-7-11(17-13(16-2)18-12(7)19)6-8-9(14)4-3-5-10(8)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 265.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135434818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).