6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine

C13H11BrN4O — CID 58909701

IUPAC6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1Oc2ncnc(N)c2N=C1c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4O/c1-7-10(8-2-4-9(14)5-3-8)18-11-12(15)16-6-17-13(11)19-7/h2-7H,1H3,(H2,15,16,17)
InChIKeyXFIJXHAITGCOGX-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.72
Rot. Bonds1

About 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine

6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909701) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909701
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1Oc2ncnc(N)c2N=C1c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4O/c1-7-10(8-2-4-9(14)5-3-8)18-11-12(15)16-6-17-13(11)19-7/h2-7H,1H3,(H2,15,16,17)
InChIKeyXFIJXHAITGCOGX-UHFFFAOYSA-N
XLogP2.72
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909701) is 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine is CC1Oc2ncnc(N)c2N=C1c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is XFIJXHAITGCOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-7-10(8-2-4-9(14)5-3-8)18-11-12(15)16-6-17-13(11)19-7/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 319.16 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).