6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine

C15H16N4O2 — CID 58909815

IUPAC6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCOc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C15H16N4O2/c1-15(2)12(9-4-6-10(20-3)7-5-9)19-11-13(16)17-8-18-14(11)21-15/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyXUDWNSUCYGGUDY-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.36
Rot. Bonds2

About 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine

6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909815) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909815
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCOc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C15H16N4O2/c1-15(2)12(9-4-6-10(20-3)7-5-9)19-11-13(16)17-8-18-14(11)21-15/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyXUDWNSUCYGGUDY-UHFFFAOYSA-N
XLogP2.36
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909815) is 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is COc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is XUDWNSUCYGGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-15(2)12(9-4-6-10(20-3)7-5-9)19-11-13(16)17-8-18-14(11)21-15/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).