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

C15H16N4O — CID 58909803

IUPAC7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C15H16N4O/c1-9-4-6-10(7-5-9)12-15(2,3)20-14-11(19-12)13(16)17-8-18-14/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyVYSUKSJUEGJUFY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds1

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

7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909803) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909803
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C15H16N4O/c1-9-4-6-10(7-5-9)12-15(2,3)20-14-11(19-12)13(16)17-8-18-14/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyVYSUKSJUEGJUFY-UHFFFAOYSA-N
XLogP2.66
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
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-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909803) is 7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is Cc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1.
What is the InChIKey of 7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is VYSUKSJUEGJUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-4-6-10(7-5-9)12-15(2,3)20-14-11(19-12)13(16)17-8-18-14/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
7,7-dimethyl-6-(4-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.66, 1 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-methylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).