1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone

C18H14FN3O2 — CID 58318695

IUPAC1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O2/c1-12-2-3-22-15(4-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17/h2-7,9-11H,8H2,1H3
InChIKeyGFEMMUQVSREZCO-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone

1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone (PubChem CID 58318695) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone
PubChem CID58318695
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O2/c1-12-2-3-22-15(4-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17/h2-7,9-11H,8H2,1H3
InChIKeyGFEMMUQVSREZCO-UHFFFAOYSA-N
XLogP3.54
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
CID 51033560
3-chloro-N-[6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936691
3-chloro-N-(6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936726
3-fluoro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936731
3-fluoro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936736
N-pyridin-2-yl-3-pyridin-3-yloxybenzamide
CID 69936778
3-chloro-N-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936790
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
3-chloro-N-[6-(difluoromethyl)-5-fluoropyridin-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 69936808
3-fluoro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936858
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
3-fluoro-N-pyridin-2-yl-5-pyrimidin-5-yloxybenzamide
CID 69936868

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone (CID 58318695) is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone is Cc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is GFEMMUQVSREZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-12-2-3-22-15(4-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone?
1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone has a molecular weight of 323.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 58318695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).