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

C28H39N5O2 — CID 58909850

IUPAC2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CN3CCC(CCO)CC3)CC2)cc1
InChIInChI=1S/C28H39N5O2/c1-28(2)25(32-24-26(29)30-18-31-27(24)35-28)23-9-7-22(8-10-23)21-5-3-20(4-6-21)17-33-14-11-19(12-15-33)13-16-34/h7-10,18-21,34H,3-6,11-17H2,1-2H3,(H2,29,30,31)
InChIKeyQJPRUYNWMMJELY-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.72
Rot. Bonds6

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

2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol (PubChem CID 58909850) has the molecular formula C28H39N5O2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol
PubChem CID58909850
Molecular FormulaC28H39N5O2
Molecular Weight477.65 g/mol
Exact Mass477.31
IUPAC Name2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CN3CCC(CCO)CC3)CC2)cc1
InChIInChI=1S/C28H39N5O2/c1-28(2)25(32-24-26(29)30-18-31-27(24)35-28)23-9-7-22(8-10-23)21-5-3-20(4-6-21)17-33-14-11-19(12-15-33)13-16-34/h7-10,18-21,34H,3-6,11-17H2,1-2H3,(H2,29,30,31)
InChIKeyQJPRUYNWMMJELY-UHFFFAOYSA-N
XLogP4.72
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethanol
CID 58909708
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
6-[4-[4-[(4-benzylpiperazin-1-yl)methyl]cyclohexyl]phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909699
7,7-dimethyl-6-[4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909810
1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-6-hydroxy-6-methyl-1,4-diazecan-5-one
CID 163654488
N-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-2-hydroxy-N-methylacetamide
CID 58909916
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
6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine;1-methylpyrrolidine
CID 142902511
[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-piperidin-1-ylmethanone
CID 58909498
[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl] dihydrogen phosphate
CID 46932496
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 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) is 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CN3CCC(CCO)CC3)CC2)cc1.
What is the InChIKey of 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol?
The InChIKey is QJPRUYNWMMJELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O2/c1-28(2)25(32-24-26(29)30-18-31-27(24)35-28)23-9-7-22(8-10-23)21-5-3-20(4-6-21)17-33-14-11-19(12-15-33)13-16-34/h7-10,18-21,34H,3-6,11-17H2,1-2H3,(H2,29,30,31).
What are the key properties of 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol?
2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol has a molecular weight of 477.65 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 58909850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).