4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane

C136H200N36O12 — CID 158604801

IUPAC4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane
SMILESC.C.C.C.C.C.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.Nc1[nH]c(=O)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/4C23H32N6O2.C20H26N6O2.C18H22N6O2.6CH4/c2*1-3-7-16(2)31-23-26-21(24)20-22(27-23)29(15-19(30)25-20)14-18-9-6-8-17(12-18)13-28-10-4-5-11-28;2*1-3-6-16(2)31-23-26-21(24)20-22(27-23)29(15-19(30)25-20)14-18-9-7-17(8-10-18)13-28-11-4-5-12-28;1-2-28-20-23-18(21)17-19(24-20)26(13-16(27)22-17)12-15-7-5-6-14(10-15)11-25-8-3-4-9-25;19-16-15-17(22-18(26)21-16)24(11-14(25)20-15)10-13-5-3-4-12(8-13)9-23-6-1-2-7-23;;;;;;/h2*6,8-9,12,16H,3-5,7,10-11,13-15H2,1-2H3,(H,25,30)(H2,24,26,27);2*7-10,16H,3-6,11-15H2,1-2H3,(H,25,30)(H2,24,26,27);5-7,10H,2-4,8-9,11-13H2,1H3,(H,22,27)(H2,21,23,24);3-5,8H,1-2,6-7,9-11H2,(H,20,25)(H3,19,21,22,26);6*1H4/t4*16-;;;;;;;;/m1010......../s1
InChIKeyHWBUJMYXIFQCRD-XLZPKCJWSA-N
MW2531.34 g/mol
LogP19.46
Rot. Bonds42

About 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane

4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane (PubChem CID 158604801) has the molecular formula C136H200N36O12 and a molecular weight of 2531.34 g/mol. Its IUPAC name is 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane.

Molecular Properties

Compound Name4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane
PubChem CID158604801
Molecular FormulaC136H200N36O12
Molecular Weight2531.34 g/mol
Exact Mass2529.61
IUPAC Name4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane
SMILESC.C.C.C.C.C.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.Nc1[nH]c(=O)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/4C23H32N6O2.C20H26N6O2.C18H22N6O2.6CH4/c2*1-3-7-16(2)31-23-26-21(24)20-22(27-23)29(15-19(30)25-20)14-18-9-6-8-17(12-18)13-28-10-4-5-11-28;2*1-3-6-16(2)31-23-26-21(24)20-22(27-23)29(15-19(30)25-20)14-18-9-7-17(8-10-18)13-28-11-4-5-12-28;1-2-28-20-23-18(21)17-19(24-20)26(13-16(27)22-17)12-15-7-5-6-14(10-15)11-25-8-3-4-9-25;19-16-15-17(22-18(26)21-16)24(11-14(25)20-15)10-13-5-3-4-12(8-13)9-23-6-1-2-7-23;;;;;;/h2*6,8-9,12,16H,3-5,7,10-11,13-15H2,1-2H3,(H,25,30)(H2,24,26,27);2*7-10,16H,3-6,11-15H2,1-2H3,(H,25,30)(H2,24,26,27);5-7,10H,2-4,8-9,11-13H2,1H3,(H,22,27)(H2,21,23,24);3-5,8H,1-2,6-7,9-11H2,(H,20,25)(H3,19,21,22,26);6*1H4/t4*16-;;;;;;;;/m1010......../s1
InChIKeyHWBUJMYXIFQCRD-XLZPKCJWSA-N
XLogP19.46
TPSA590.40 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.34
LogP ≤ 519.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane with MolForge

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Related Compounds

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one
CID 158583253
6-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[3-(1-pyrrolidin-1-ylethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(oxolan-3-yloxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one
CID 159211719
6-amino-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one;6-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one
CID 161168858
6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-7H-purin-8-one;6-amino-2-(oxolan-2-ylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2,2,3,3,3-pentafluoropropoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(3,3,3-trifluoropropoxy)-7H-purin-8-one
CID 161326722
6-amino-2-(2-methoxyethoxy)-9-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[3-(1-pyrrolidin-1-ylethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(oxolan-2-ylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(oxolan-3-yloxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one
CID 161928743
4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane
CID 162193271
4-Amino-2-butoxy-8-[[3-[[2-[[[2-butoxy-6-oxo-8-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)-5,7-dihydropteridin-4-yl]amino]methyl]-5-methylpyrrolidin-1-yl]methyl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 134382245
4-amino-2-butoxy-7,7-dihydroxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-butoxy-8-[[3-[(3,3,4,4-tetrahydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 145265829
4-Amino-2-butoxy-8-[[3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 145420797
4-amino-2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
CID 157096129
4-amino-7,7-dideuterio-8-[dideuterio-[2,4,6-trideuterio-3-[dideuterio-(2,2,3,3,4,4,5,5-octadeuteriopyrrolidin-1-yl)methyl]-5-methylphenyl]methyl]-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)-5H-pteridin-6-one;4-amino-7,7-dideuterio-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-8-[dideuterio-[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)-5,7-dihydropteridin-6-one;4-amino-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)-8-[[2,4,6-trideuterio-3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;methane
CID 157107778
6-amino-9-[[3-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one
CID 157135743

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane?
The IUPAC name of 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane (CID 158604801) is 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane.
What is the SMILES notation for 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane?
The canonical SMILES for 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane is C.C.C.C.C.C.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.Nc1[nH]c(=O)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1.
What is the InChIKey of 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane?
The InChIKey is HWBUJMYXIFQCRD-XLZPKCJWSA-N. The full InChI is InChI=1S/4C23H32N6O2.C20H26N6O2.C18H22N6O2.6CH4/c2*1-3-7-16(2)31-23-26-21(24)20-22(27-23)29(15-19(30)25-20)14-18-9-6-8-17(12-18)13-28-10-4-5-11-28;2*1-3-6-16(2)31-23-26-21(24)20-22(27-23)29(15-19(30)25-20)14-18-9-7-17(8-10-18)13-28-11-4-5-12-28;1-2-28-20-23-18(21)17-19(24-20)26(13-16(27)22-17)12-15-7-5-6-14(10-15)11-25-8-3-4-9-25;19-16-15-17(22-18(26)21-16)24(11-14(25)20-15)10-13-5-3-4-12(8-13)9-23-6-1-2-7-23;;;;;;/h2*6,8-9,12,16H,3-5,7,10-11,13-15H2,1-2H3,(H,25,30)(H2,24,26,27);2*7-10,16H,3-6,11-15H2,1-2H3,(H,25,30)(H2,24,26,27);5-7,10H,2-4,8-9,11-13H2,1H3,(H,22,27)(H2,21,23,24);3-5,8H,1-2,6-7,9-11H2,(H,20,25)(H3,19,21,22,26);6*1H4/t4*16-;;;;;;;;/m1010......../s1.
What are the key properties of 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane?
4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane has a molecular weight of 2531.34 g/mol, XLogP of 19.46, 42 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pteridine-2,6-dione;methane is sourced from PubChem (CID 158604801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).