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

C26H32N6OS — CID 58909872

IUPAC7,7-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
SMILESCc1csc(NCCC2CCC(c3ccc(C4=Nc5c(N)ncnc5OC4(C)C)cc3)CC2)n1
InChIInChI=1S/C26H32N6OS/c1-16-14-34-25(31-16)28-13-12-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-26(2,3)33-24-21(32-22)23(27)29-15-30-24/h8-11,14-15,17-18H,4-7,12-13H2,1-3H3,(H,28,31)(H2,27,29,30)
InChIKeyXMCBHOLQKIYYMA-UHFFFAOYSA-N
MW476.65 g/mol
LogP5.89
Rot. Bonds6

About 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

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 (PubChem CID 58909872) has the molecular formula C26H32N6OS and a molecular weight of 476.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7-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
PubChem CID58909872
Molecular FormulaC26H32N6OS
Molecular Weight476.65 g/mol
Exact Mass476.24
IUPAC Name7,7-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
SMILESCc1csc(NCCC2CCC(c3ccc(C4=Nc5c(N)ncnc5OC4(C)C)cc3)CC2)n1
InChIInChI=1S/C26H32N6OS/c1-16-14-34-25(31-16)28-13-12-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-26(2,3)33-24-21(32-22)23(27)29-15-30-24/h8-11,14-15,17-18H,4-7,12-13H2,1-3H3,(H,28,31)(H2,27,29,30)
InChIKeyXMCBHOLQKIYYMA-UHFFFAOYSA-N
XLogP5.89
TPSA98.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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
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
2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-N-propylacetamide
CID 58909817
7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909548
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;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] dihydrogen phosphate
CID 46932496
N-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-2-hydroxy-N-methylacetamide
CID 58909916
6-[4-[4-[(4-benzylpiperazin-1-yl)methyl]cyclohexyl]phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909699
benzyl N-[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]carbamate
CID 58909775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc(NCCC2CCC(c3ccc(C4=Nc5c(N)ncnc5OC4(C)C)cc3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is XMCBHOLQKIYYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6OS/c1-16-14-34-25(31-16)28-13-12-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-26(2,3)33-24-21(32-22)23(27)29-15-30-24/h8-11,14-15,17-18H,4-7,12-13H2,1-3H3,(H,28,31)(H2,27,29,30).
What are the key properties of 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?
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 has a molecular weight of 476.65 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58909872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).