6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide

C24H33N5O3 — CID 142902455

IUPAC6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1.CCNC(=O)CO
InChIInChI=1S/C20H24N4O.C4H9NO2/c1-20(2)17(24-16-18(21)22-12-23-19(16)25-20)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-2-5-4(7)3-6/h8-13H,3-7H2,1-2H3,(H2,21,22,23);6H,2-3H2,1H3,(H,5,7)
InChIKeyZOYMFOWFSDZNNP-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.51
Rot. Bonds4

About 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide

6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide (PubChem CID 142902455) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide
PubChem CID142902455
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1.CCNC(=O)CO
InChIInChI=1S/C20H24N4O.C4H9NO2/c1-20(2)17(24-16-18(21)22-12-23-19(16)25-20)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-2-5-4(7)3-6/h8-13H,3-7H2,1-2H3,(H2,21,22,23);6H,2-3H2,1H3,(H,5,7)
InChIKeyZOYMFOWFSDZNNP-UHFFFAOYSA-N
XLogP3.51
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide with MolForge

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Related Compounds

6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;1-hydroxypropan-2-one
CID 142902448
2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-N-propylacetamide
CID 58909817
6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;1-methylpyrrolidine
CID 142902511
N-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-2-hydroxy-N-methylacetamide
CID 58909916
2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol
CID 58909708
[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-piperidin-1-ylmethanone
CID 58909498
benzyl N-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]carbamate
CID 58909775
1-[4-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperazin-1-yl]-2-hydroxyethanone
CID 58909921
2-(4-cyclohexylphenyl)-3,3-dimethylpyrido[2,3-b][1,4]oxazin-8-amine
CID 134333602
[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl] dihydrogen phosphate
CID 46932496
N-[2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]methanesulfonamide
CID 58909811
2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol
CID 58909850

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide?
The IUPAC name of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide (CID 142902455) is 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide.
What is the SMILES notation for 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide?
The canonical SMILES for 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1.CCNC(=O)CO.
What is the InChIKey of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide?
The InChIKey is ZOYMFOWFSDZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C4H9NO2/c1-20(2)17(24-16-18(21)22-12-23-19(16)25-20)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-2-5-4(7)3-6/h8-13H,3-7H2,1-2H3,(H2,21,22,23);6H,2-3H2,1H3,(H,5,7).
What are the key properties of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide?
6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide has a molecular weight of 439.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide is sourced from PubChem (CID 142902455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).