2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine

C21H20FN5O2 — CID 90310740

IUPAC2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine
SMILESNc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)n1
InChIInChI=1S/C21H20FN5O2/c22-18-14(13-10-16-20(26-11-13)24-8-9-28-16)4-5-15(12-2-1-3-12)19(18)29-21-25-7-6-17(23)27-21/h4-7,10-12H,1-3,8-9H2,(H,24,26)(H2,23,25,27)
InChIKeyCCDKWBHLJMWSJM-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.12
Rot. Bonds4

About 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine

2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine (PubChem CID 90310740) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine
PubChem CID90310740
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine
SMILESNc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)n1
InChIInChI=1S/C21H20FN5O2/c22-18-14(13-10-16-20(26-11-13)24-8-9-28-16)4-5-15(12-2-1-3-12)19(18)29-21-25-7-6-17(23)27-21/h4-7,10-12H,1-3,8-9H2,(H,24,26)(H2,23,25,27)
InChIKeyCCDKWBHLJMWSJM-UHFFFAOYSA-N
XLogP4.12
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine?
The IUPAC name of 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine (CID 90310740) is 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine is Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)n1.
What is the InChIKey of 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine?
The InChIKey is CCDKWBHLJMWSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-18-14(13-10-16-20(26-11-13)24-8-9-28-16)4-5-15(12-2-1-3-12)19(18)29-21-25-7-6-17(23)27-21/h4-7,10-12H,1-3,8-9H2,(H,24,26)(H2,23,25,27).
What are the key properties of 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine?
2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine has a molecular weight of 393.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]pyrimidin-4-amine is sourced from PubChem (CID 90310740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).