2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

C12H13FN4O — CID 71128887

IUPAC2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCN(C)c1nc(-c2ccncc2F)cc(=O)n1C
InChIInChI=1S/C12H13FN4O/c1-16(2)12-15-10(6-11(18)17(12)3)8-4-5-14-7-9(8)13/h4-7H,1-3H3
InChIKeyRWMNZIWKWVAMNF-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.05
Rot. Bonds2

About 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (PubChem CID 71128887) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
PubChem CID71128887
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCN(C)c1nc(-c2ccncc2F)cc(=O)n1C
InChIInChI=1S/C12H13FN4O/c1-16(2)12-15-10(6-11(18)17(12)3)8-4-5-14-7-9(8)13/h4-7H,1-3H3
InChIKeyRWMNZIWKWVAMNF-UHFFFAOYSA-N
XLogP1.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (CID 71128887) is 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is CN(C)c1nc(-c2ccncc2F)cc(=O)n1C.
What is the InChIKey of 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The InChIKey is RWMNZIWKWVAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-16(2)12-15-10(6-11(18)17(12)3)8-4-5-14-7-9(8)13/h4-7H,1-3H3.
What are the key properties of 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one has a molecular weight of 248.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 71128887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).