6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one

C21H16F2N4O3 — CID 3233115

IUPAC6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one
SMILESCOCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C21H16F2N4O3/c1-29-8-7-27-19-17(12-24-21(26-19)30-16-5-3-2-4-6-16)25-18(20(27)28)13-9-14(22)11-15(23)10-13/h2-6,9-12H,7-8H2,1H3
InChIKeyLITHCOGKXKTONU-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.57
Rot. Bonds6

About 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one

6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one (PubChem CID 3233115) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one
PubChem CID3233115
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one
SMILESCOCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C21H16F2N4O3/c1-29-8-7-27-19-17(12-24-21(26-19)30-16-5-3-2-4-6-16)25-18(20(27)28)13-9-14(22)11-15(23)10-13/h2-6,9-12H,7-8H2,1H3
InChIKeyLITHCOGKXKTONU-UHFFFAOYSA-N
XLogP3.57
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one?
The IUPAC name of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one (CID 3233115) is 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one is COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21.
What is the InChIKey of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one?
The InChIKey is LITHCOGKXKTONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-29-8-7-27-19-17(12-24-21(26-19)30-16-5-3-2-4-6-16)25-18(20(27)28)13-9-14(22)11-15(23)10-13/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one?
6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one has a molecular weight of 410.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one is sourced from PubChem (CID 3233115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).