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

C12H9FN4O — CID 58909579

IUPAC6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESNc1ncnc2c1N=C(c1ccc(F)cc1)CO2
InChIInChI=1S/C12H9FN4O/c13-8-3-1-7(2-4-8)9-5-18-12-10(17-9)11(14)15-6-16-12/h1-4,6H,5H2,(H2,14,15,16)
InChIKeyIHZWXWTWZRWFIR-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.71
Rot. Bonds1

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

6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909579) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909579
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESNc1ncnc2c1N=C(c1ccc(F)cc1)CO2
InChIInChI=1S/C12H9FN4O/c13-8-3-1-7(2-4-8)9-5-18-12-10(17-9)11(14)15-6-16-12/h1-4,6H,5H2,(H2,14,15,16)
InChIKeyIHZWXWTWZRWFIR-UHFFFAOYSA-N
XLogP1.71
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
6-(4-Ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909623
7,7-Dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909630
6-(4-bromophenyl)-2-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909657
6-(4-bromophenyl)-7-methyl-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909701
6-(4-Bromophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909703
6-(4-bromophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909722
4-[4-(4-Amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol
CID 58909735
7,7-Dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909745
6-(4-Chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909754

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909579) is 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine is Nc1ncnc2c1N=C(c1ccc(F)cc1)CO2.
What is the InChIKey of 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is IHZWXWTWZRWFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c13-8-3-1-7(2-4-8)9-5-18-12-10(17-9)11(14)15-6-16-12/h1-4,6H,5H2,(H2,14,15,16).
What are the key properties of 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 244.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).