7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C21H19FN4O2 — CID 90310927

IUPAC7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1Oc1ncccn1
InChIInChI=1S/C21H19FN4O2/c22-18-15(14-11-17-20(26-12-14)23-9-10-27-17)5-6-16(13-3-1-4-13)19(18)28-21-24-7-2-8-25-21/h2,5-8,11-13H,1,3-4,9-10H2,(H,23,26)
InChIKeyPAXDJHKGMHZBDS-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.54
Rot. Bonds4

About 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 90310927) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID90310927
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1Oc1ncccn1
InChIInChI=1S/C21H19FN4O2/c22-18-15(14-11-17-20(26-12-14)23-9-10-27-17)5-6-16(13-3-1-4-13)19(18)28-21-24-7-2-8-25-21/h2,5-8,11-13H,1,3-4,9-10H2,(H,23,26)
InChIKeyPAXDJHKGMHZBDS-UHFFFAOYSA-N
XLogP4.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 90310927) is 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1Oc1ncccn1.
What is the InChIKey of 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is PAXDJHKGMHZBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-18-15(14-11-17-20(26-12-14)23-9-10-27-17)5-6-16(13-3-1-4-13)19(18)28-21-24-7-2-8-25-21/h2,5-8,11-13H,1,3-4,9-10H2,(H,23,26).
What are the key properties of 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 378.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 90310927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).