2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol

C22H28N4O2 — CID 58909708

IUPAC2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CCO)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2)19(26-18-20(23)24-13-25-21(18)28-22)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-12-27/h7-10,13-15,27H,3-6,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyQNNMEDXKIVRYOE-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.01
Rot. Bonds4

About 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol

2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol (PubChem CID 58909708) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol
PubChem CID58909708
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CCO)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2)19(26-18-20(23)24-13-25-21(18)28-22)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-12-27/h7-10,13-15,27H,3-6,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyQNNMEDXKIVRYOE-UHFFFAOYSA-N
XLogP4.01
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol with MolForge

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Related Compounds

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
N-[2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]methanesulfonamide
CID 58909811
6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;1-hydroxypropan-2-one
CID 142902448
N-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-2-hydroxy-N-methylacetamide
CID 58909916
7,7-dimethyl-6-[4-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]ethyl]cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909872
7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909548
2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-N-propylacetamide
CID 58909817
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
[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl] dihydrogen phosphate
CID 46932496
5-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-1,2-dihydropyrazol-3-one
CID 58909517
6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;N-ethyl-2-hydroxyacetamide
CID 142902455
[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-piperidin-1-ylmethanone
CID 58909498

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol?
The IUPAC name of 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol (CID 58909708) is 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol?
The InChIKey is QNNMEDXKIVRYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2)19(26-18-20(23)24-13-25-21(18)28-22)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-12-27/h7-10,13-15,27H,3-6,11-12H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol?
2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol has a molecular weight of 380.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol is sourced from PubChem (CID 58909708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).