5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

C14H14FN3O2 — CID 137291618

IUPAC5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(C2CCOCC2)c1F
InChIInChI=1S/C14H14FN3O2/c15-11-12(9-3-7-20-8-4-9)17-13(18-14(11)19)10-1-5-16-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,17,18,19)
InChIKeyIPAJNWAWEULFNU-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.87
Rot. Bonds2

About 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137291618) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137291618
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(C2CCOCC2)c1F
InChIInChI=1S/C14H14FN3O2/c15-11-12(9-3-7-20-8-4-9)17-13(18-14(11)19)10-1-5-16-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,17,18,19)
InChIKeyIPAJNWAWEULFNU-UHFFFAOYSA-N
XLogP1.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137291618) is 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncc2)nc(C2CCOCC2)c1F.
What is the InChIKey of 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is IPAJNWAWEULFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-12(9-3-7-20-8-4-9)17-13(18-14(11)19)10-1-5-16-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,17,18,19).
What are the key properties of 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 275.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(oxan-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137291618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).