2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C12H9FN4O2 — CID 118164228

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2cnc3ccc(F)cn23)[nH]c1=O
InChIInChI=1S/C12H9FN4O2/c1-6-11(18)15-10(16-12(6)19)8-4-14-9-3-2-7(13)5-17(8)9/h2-5H,1H3,(H2,15,16,18,19)
InChIKeyMQGZJQTYIVNEII-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.24
Rot. Bonds1

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 118164228) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID118164228
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2cnc3ccc(F)cn23)[nH]c1=O
InChIInChI=1S/C12H9FN4O2/c1-6-11(18)15-10(16-12(6)19)8-4-14-9-3-2-7(13)5-17(8)9/h2-5H,1H3,(H2,15,16,18,19)
InChIKeyMQGZJQTYIVNEII-UHFFFAOYSA-N
XLogP1.24
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 118164228) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2cnc3ccc(F)cn23)[nH]c1=O.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MQGZJQTYIVNEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-6-11(18)15-10(16-12(6)19)8-4-14-9-3-2-7(13)5-17(8)9/h2-5H,1H3,(H2,15,16,18,19).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 260.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 118164228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).