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

C12H11BrN4O — CID 58909690

IUPAC6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESNc1ncnc2c1NC(c1ccc(Br)cc1)CO2
InChIInChI=1S/C12H11BrN4O/c13-8-3-1-7(2-4-8)9-5-18-12-10(17-9)11(14)15-6-16-12/h1-4,6,9,17H,5H2,(H2,14,15,16)
InChIKeyCEBPHYSDSRXUSB-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.37
Rot. Bonds1

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

6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909690) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909690
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESNc1ncnc2c1NC(c1ccc(Br)cc1)CO2
InChIInChI=1S/C12H11BrN4O/c13-8-3-1-7(2-4-8)9-5-18-12-10(17-9)11(14)15-6-16-12/h1-4,6,9,17H,5H2,(H2,14,15,16)
InChIKeyCEBPHYSDSRXUSB-UHFFFAOYSA-N
XLogP2.37
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909690) is 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine is Nc1ncnc2c1NC(c1ccc(Br)cc1)CO2.
What is the InChIKey of 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is CEBPHYSDSRXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-8-3-1-7(2-4-8)9-5-18-12-10(17-9)11(14)15-6-16-12/h1-4,6,9,17H,5H2,(H2,14,15,16).
What are the key properties of 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 307.15 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).