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

C18H21N5O2 — CID 58909630

IUPAC7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N5O2/c1-18(2)15(22-14-16(19)20-11-21-17(14)25-18)12-3-5-13(6-4-12)23-7-9-24-10-8-23/h3-6,11H,7-10H2,1-2H3,(H2,19,20,21)
InChIKeyRHWSIGATHISOBR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.19
Rot. Bonds2

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

7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909630) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909630
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N5O2/c1-18(2)15(22-14-16(19)20-11-21-17(14)25-18)12-3-5-13(6-4-12)23-7-9-24-10-8-23/h3-6,11H,7-10H2,1-2H3,(H2,19,20,21)
InChIKeyRHWSIGATHISOBR-UHFFFAOYSA-N
XLogP2.19
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909630) is 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is RHWSIGATHISOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-18(2)15(22-14-16(19)20-11-21-17(14)25-18)12-3-5-13(6-4-12)23-7-9-24-10-8-23/h3-6,11H,7-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-(4-morpholin-4-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).