2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one

C19H19FN4O2 — CID 145174002

IUPAC2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccn2)c(Nc2cc(C)c(F)cc2C)nc1=O
InChIInChI=1S/C19H19FN4O2/c1-12-9-16(13(2)8-15(12)20)22-19-23-18(25)17(26-3)11-24(19)10-14-6-4-5-7-21-14/h4-9,11H,10H2,1-3H3,(H,22,23,25)
InChIKeyNJLQFHFGTAWINQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one

2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one (PubChem CID 145174002) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one
PubChem CID145174002
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccn2)c(Nc2cc(C)c(F)cc2C)nc1=O
InChIInChI=1S/C19H19FN4O2/c1-12-9-16(13(2)8-15(12)20)22-19-23-18(25)17(26-3)11-24(19)10-14-6-4-5-7-21-14/h4-9,11H,10H2,1-3H3,(H,22,23,25)
InChIKeyNJLQFHFGTAWINQ-UHFFFAOYSA-N
XLogP3.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one (CID 145174002) is 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one is COc1cn(Cc2ccccn2)c(Nc2cc(C)c(F)cc2C)nc1=O.
What is the InChIKey of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is NJLQFHFGTAWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-9-16(13(2)8-15(12)20)22-19-23-18(25)17(26-3)11-24(19)10-14-6-4-5-7-21-14/h4-9,11H,10H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 354.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 145174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).