5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

C75H86FN31O6 — CID 158848416

IUPAC5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CC(F)C3)nc(-c3cnc(N)nc3)nc12.CC1(C)OCCn2c1nc1c(N3CC(O)C3)nc(-c3cnc4nc[nH]c4c3)nc12.COCC1CCCN1c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C.C[C@@]1(C2CC2)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C20H26N8O2.C19H20N8O2.C19H21N7O.C17H19FN8O/c1-20(2)18-24-14-16(27-6-4-5-13(27)11-29-3)25-15(12-9-22-19(21)23-10-12)26-17(14)28(18)7-8-30-20;1-19(2)18-23-13-16(26-7-11(28)8-26)24-14(25-17(13)27(18)3-4-29-19)10-5-12-15(20-6-10)22-9-21-12;1-19(12-4-5-12)17-24-14-13(10-2-3-10)23-15(11-8-21-18(20)22-9-11)25-16(14)26(17)6-7-27-19;1-17(2)15-22-11-13(25-7-10(18)8-25)23-12(9-5-20-16(19)21-6-9)24-14(11)26(15)3-4-27-17/h9-10,13H,4-8,11H2,1-3H3,(H2,21,22,23);5-6,9,11,28H,3-4,7-8H2,1-2H3,(H,20,21,22);8-10,12H,2-7H2,1H3,(H2,20,21,22);5-6,10H,3-4,7-8H2,1-2H3,(H2,19,20,21)/t;;19-;/m..0./s1
InChIKeyIZDDPYSQROQWGB-KJFDLJPKSA-N
MW1536.72 g/mol
LogP6.64
Rot. Bonds11

About 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (PubChem CID 158848416) has the molecular formula C75H86FN31O6 and a molecular weight of 1536.72 g/mol. Its IUPAC name is 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
PubChem CID158848416
Molecular FormulaC75H86FN31O6
Molecular Weight1536.72 g/mol
Exact Mass1535.74
IUPAC Name5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CC(F)C3)nc(-c3cnc(N)nc3)nc12.CC1(C)OCCn2c1nc1c(N3CC(O)C3)nc(-c3cnc4nc[nH]c4c3)nc12.COCC1CCCN1c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C.C[C@@]1(C2CC2)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C20H26N8O2.C19H20N8O2.C19H21N7O.C17H19FN8O/c1-20(2)18-24-14-16(27-6-4-5-13(27)11-29-3)25-15(12-9-22-19(21)23-10-12)26-17(14)28(18)7-8-30-20;1-19(2)18-23-13-16(26-7-11(28)8-26)24-14(25-17(13)27(18)3-4-29-19)10-5-12-15(20-6-10)22-9-21-12;1-19(12-4-5-12)17-24-14-13(10-2-3-10)23-15(11-8-21-18(20)22-9-11)25-16(14)26(17)6-7-27-19;1-17(2)15-22-11-13(25-7-10(18)8-25)23-12(9-5-20-16(19)21-6-9)24-14(11)26(15)3-4-27-17/h9-10,13H,4-8,11H2,1-3H3,(H2,21,22,23);5-6,9,11,28H,3-4,7-8H2,1-2H3,(H,20,21,22);8-10,12H,2-7H2,1H3,(H2,20,21,22);5-6,10H,3-4,7-8H2,1-2H3,(H2,19,20,21)/t;;19-;/m..0./s1
InChIKeyIZDDPYSQROQWGB-KJFDLJPKSA-N
XLogP6.64
TPSA447.47 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.72
LogP ≤ 56.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[6-(2-azabicyclo[2.1.1]hexan-2-yl)-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl]-3-(trifluoromethyl)pyridin-2-amine;1-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;4-cyclopropyl-6,6-dimethyl-2-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[6,6-dimethyl-2-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;4-(3-methoxyazetidin-1-yl)-2-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6,8,9,10-tetrahydropurino[8,9-c][1,4]oxazepine
CID 157359688
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[2-(6-methyl-3-pyridinyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-7,8-dihydro-6H-purino[9,8-a]pyrrol-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 157587753
3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158031678
Bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol);bis([1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol);[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]methanol;1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol
CID 158697845
2-[[(2R)-butan-2-yl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(cyanomethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(3R)-3-hydroxycyclopentyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(3-imidazol-1-ylpropylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1-methoxypropan-2-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(3S)-oxolan-3-yl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 158704029
5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 159162515
6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2,4-dimethyl-1H-pyrrol-3-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 159328215
Bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine;bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)
CID 159626269
(1S)-1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-(oxetan-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 159944945
(1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);4-[3-[4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-(oxetan-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 160042098
2-(2-aminopyrimidin-5-yl)-N-cyclopentyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine;4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;5-[(6S)-4-(2-azabicyclo[2.1.1]hexan-2-yl)-6-methyl-8,9-dihydro-6H-purino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;4-(3-methoxyazetidin-1-yl)-2-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepine
CID 160124749
4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]-8,9-dihydropurino[8,9-c][1,4]oxazine;5-[4-(3,3-difluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[6,6-dimethyl-4-(1-methylcyclopropyl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[6,6-dimethyl-4-[(2S)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 160232774

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (CID 158848416) is 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is CC1(C)OCCn2c1nc1c(N3CC(F)C3)nc(-c3cnc(N)nc3)nc12.CC1(C)OCCn2c1nc1c(N3CC(O)C3)nc(-c3cnc4nc[nH]c4c3)nc12.COCC1CCCN1c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C.C[C@@]1(C2CC2)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The InChIKey is IZDDPYSQROQWGB-KJFDLJPKSA-N. The full InChI is InChI=1S/C20H26N8O2.C19H20N8O2.C19H21N7O.C17H19FN8O/c1-20(2)18-24-14-16(27-6-4-5-13(27)11-29-3)25-15(12-9-22-19(21)23-10-12)26-17(14)28(18)7-8-30-20;1-19(2)18-23-13-16(26-7-11(28)8-26)24-14(25-17(13)27(18)3-4-29-19)10-5-12-15(20-6-10)22-9-21-12;1-19(12-4-5-12)17-24-14-13(10-2-3-10)23-15(11-8-21-18(20)22-9-11)25-16(14)26(17)6-7-27-19;1-17(2)15-22-11-13(25-7-10(18)8-25)23-12(9-5-20-16(19)21-6-9)24-14(11)26(15)3-4-27-17/h9-10,13H,4-8,11H2,1-3H3,(H2,21,22,23);5-6,9,11,28H,3-4,7-8H2,1-2H3,(H,20,21,22);8-10,12H,2-7H2,1H3,(H2,20,21,22);5-6,10H,3-4,7-8H2,1-2H3,(H2,19,20,21)/t;;19-;/m..0./s1.
What are the key properties of 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine has a molecular weight of 1536.72 g/mol, XLogP of 6.64, 11 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 158848416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).