4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one

C10H9FN4O — CID 58166492

IUPAC4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(Cc2cccnc2)cc1F
InChIInChI=1S/C10H9FN4O/c11-8-6-15(10(16)14-9(8)12)5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H2,12,14,16)
InChIKeyIGCXTALGJJUQHY-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.41
Rot. Bonds2

About 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one

4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one (PubChem CID 58166492) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one
PubChem CID58166492
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(Cc2cccnc2)cc1F
InChIInChI=1S/C10H9FN4O/c11-8-6-15(10(16)14-9(8)12)5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H2,12,14,16)
InChIKeyIGCXTALGJJUQHY-UHFFFAOYSA-N
XLogP0.41
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
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5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 166850879
4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
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6-amino-2-methylsulfanyl-9-(pyridin-3-ylmethyl)-7H-purin-8-one
CID 122671795
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 1096899
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
1-benzyl-3-fluoropyrrolo[3,2-c]pyridine
CID 176809957
5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
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CID 90291449

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one (CID 58166492) is 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one is Nc1nc(=O)n(Cc2cccnc2)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one?
The InChIKey is IGCXTALGJJUQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-8-6-15(10(16)14-9(8)12)5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H2,12,14,16).
What are the key properties of 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one has a molecular weight of 220.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 58166492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).