6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one

C22H19FN4O2 — CID 20626976

IUPAC6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)cc2cnc(NCCc3ccccc3)nc21
InChIInChI=1S/C22H19FN4O2/c1-27-20-16(13-19(21(27)28)29-18-9-7-17(23)8-10-18)14-25-22(26-20)24-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,25,26)
InChIKeyKIQQQAHNMBQCDG-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.91
Rot. Bonds6

About 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one

6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626976) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID20626976
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)cc2cnc(NCCc3ccccc3)nc21
InChIInChI=1S/C22H19FN4O2/c1-27-20-16(13-19(21(27)28)29-18-9-7-17(23)8-10-18)14-25-22(26-20)24-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,25,26)
InChIKeyKIQQQAHNMBQCDG-UHFFFAOYSA-N
XLogP3.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 20626976) is 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccc(F)cc2)cc2cnc(NCCc3ccccc3)nc21.
What is the InChIKey of 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KIQQQAHNMBQCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-27-20-16(13-19(21(27)28)29-18-9-7-17(23)8-10-18)14-25-22(26-20)24-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,25,26).
What are the key properties of 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 390.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).