2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one

C12H11F2N3O — CID 5275883

IUPAC2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(Cc2c(F)cccc2F)cc1=O
InChIInChI=1S/C12H11F2N3O/c1-17-11(18)6-7(16-12(17)15)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16)
InChIKeyXKZTZCWEHLWHNK-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.23
Rot. Bonds2

About 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one

2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one (PubChem CID 5275883) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one
PubChem CID5275883
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(Cc2c(F)cccc2F)cc1=O
InChIInChI=1S/C12H11F2N3O/c1-17-11(18)6-7(16-12(17)15)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16)
InChIKeyXKZTZCWEHLWHNK-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one (CID 5275883) is 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one is Cn1c(N)nc(Cc2c(F)cccc2F)cc1=O.
What is the InChIKey of 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one?
The InChIKey is XKZTZCWEHLWHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-17-11(18)6-7(16-12(17)15)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16).
What are the key properties of 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one?
2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one has a molecular weight of 251.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2,6-difluorophenyl)methyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 5275883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).