7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine

C17H20N4O — CID 58909777

IUPAC7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCCCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C17H20N4O/c1-4-5-11-6-8-12(9-7-11)14-17(2,3)22-16-13(21-14)15(18)19-10-20-16/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyUQIZYBQXMLTDMQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds3

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

7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909777) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909777
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCCCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C17H20N4O/c1-4-5-11-6-8-12(9-7-11)14-17(2,3)22-16-13(21-14)15(18)19-10-20-16/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyUQIZYBQXMLTDMQ-UHFFFAOYSA-N
XLogP3.30
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909777) is 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is CCCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1.
What is the InChIKey of 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is UQIZYBQXMLTDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-5-11-6-8-12(9-7-11)14-17(2,3)22-16-13(21-14)15(18)19-10-20-16/h6-10H,4-5H2,1-3H3,(H2,18,19,20).
What are the key properties of 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-(4-propylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).