2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C19H17FN4O3 — CID 59794000

IUPAC2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1ccc(F)cc1C(=O)CNc1nc(-c2ccncc2)cc(=O)n1C
InChIInChI=1S/C19H17FN4O3/c1-24-18(26)10-15(12-5-7-21-8-6-12)23-19(24)22-11-16(25)14-9-13(20)3-4-17(14)27-2/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyFIZOKZSKYCWRLL-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.28
Rot. Bonds6

About 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59794000) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59794000
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1ccc(F)cc1C(=O)CNc1nc(-c2ccncc2)cc(=O)n1C
InChIInChI=1S/C19H17FN4O3/c1-24-18(26)10-15(12-5-7-21-8-6-12)23-19(24)22-11-16(25)14-9-13(20)3-4-17(14)27-2/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyFIZOKZSKYCWRLL-UHFFFAOYSA-N
XLogP2.28
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59794000) is 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is COc1ccc(F)cc1C(=O)CNc1nc(-c2ccncc2)cc(=O)n1C.
What is the InChIKey of 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is FIZOKZSKYCWRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-24-18(26)10-15(12-5-7-21-8-6-12)23-19(24)22-11-16(25)14-9-13(20)3-4-17(14)27-2/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 368.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59794000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).