6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine

C13H11BrN4O — CID 58909657

IUPAC6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCc1nc(N)c2c(n1)OCC(c1ccc(Br)cc1)=N2
InChIInChI=1S/C13H11BrN4O/c1-7-16-12(15)11-13(17-7)19-6-10(18-11)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyVZPKAJGRAXMXHW-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.64
Rot. Bonds1

About 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine

6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909657) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909657
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCc1nc(N)c2c(n1)OCC(c1ccc(Br)cc1)=N2
InChIInChI=1S/C13H11BrN4O/c1-7-16-12(15)11-13(17-7)19-6-10(18-11)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyVZPKAJGRAXMXHW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909657) is 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine is Cc1nc(N)c2c(n1)OCC(c1ccc(Br)cc1)=N2.
What is the InChIKey of 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is VZPKAJGRAXMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-7-16-12(15)11-13(17-7)19-6-10(18-11)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 319.16 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).