2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine

C186H271N67O11 — CID 157077343

IUPAC2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine
SMILESCC(C)C1=CC(=O)CC(=O)N1C.CC(C)N1C=CC(=O)N(C)C1C.CC(C)c1cc(=O)n(C)c(=O)n1C.CC(C)n1ccc(N(C)C)nc1=O.CC(C)n1ccc2c(=O)n(C)c(N)nc21.CC(C)n1ccc2c(=O)n(C)cnc21.CC(C)n1ccc2c(N(C)C)ccnc21.CC(C)n1ccc2c(N(C)C)ncnc21.CC(C)n1cnc2c(=O)n(C)c(N)nc21.CC(C)n1cnc2c(=O)n(C)cnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)ccnc21.CNc1ccn(C(C)C)c(=O)n1.CNc1ccnc2c1ccn2C(C)C.CNc1ccnc2c1ncn2C(C)C.CNc1ncnc2c1ccn2C(C)C.CNc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C12H17N3.3C11H16N4.C11H15N3.C10H15N5.C10H14N4O.2C10H14N4.C10H13N3O.C9H13N5O.C9H13N5.C9H12N4O.C9H12N4.C9H15N3O.C9H14N2O2.C9H16N2O.C9H13NO2.C8H13N3O/c1-9(2)15-8-6-10-11(14(3)4)5-7-13-12(10)15;2*1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-8(2)15-6-5-9-10(14(3)4)12-7-13-11(9)15;1-8(2)14-7-5-9-10(12-3)4-6-13-11(9)14;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-6(2)14-5-4-7-8(14)12-10(11)13(3)9(7)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-7(2)14-5-4-8-9(11-3)12-6-13-10(8)14;1-7(2)13-5-4-8-9(13)11-6-12(3)10(8)14;1-5(2)14-4-11-6-7(14)12-9(10)13(3)8(6)15;1-6(2)14-5-13-7-8(10-3)11-4-12-9(7)14;1-6(2)13-5-10-7-8(13)11-4-12(3)9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-7(2)12-6-5-8(11(3)4)10-9(12)13;1-6(2)7-5-8(12)11(4)9(13)10(7)3;1-7(2)11-6-5-9(12)10(4)8(11)3;1-6(2)8-4-7(11)5-9(12)10(8)3;1-6(2)11-5-4-7(9-3)10-8(11)12/h5-9H,1-4H3;3*5-8H,1-4H3;4-8H,1-3H3,(H,12,13);5-7H,1-4H3;4-6H,1-3H3,(H2,11,12);4-7H,1-3H3,(H,11,12);4-7H,1-3H3,(H,11,12,13);4-7H,1-3H3;4-5H,1-3H3,(H2,10,12);4-6H,1-3H3,(H,10,11,12);4-6H,1-3H3;3-6H,1-2H3,(H2,10,11);5-7H,1-4H3;5-6H,1-4H3;5-8H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3,(H,9,10,12)
InChIKeyADCXQTGAIWEALM-UHFFFAOYSA-N
MW3621.67 g/mol
LogP27.37
Rot. Bonds30

About 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine

2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine (PubChem CID 157077343) has the molecular formula C186H271N67O11 and a molecular weight of 3621.67 g/mol. Its IUPAC name is 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine
PubChem CID157077343
Molecular FormulaC186H271N67O11
Molecular Weight3621.67 g/mol
Exact Mass3619.27
IUPAC Name2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine
SMILESCC(C)C1=CC(=O)CC(=O)N1C.CC(C)N1C=CC(=O)N(C)C1C.CC(C)c1cc(=O)n(C)c(=O)n1C.CC(C)n1ccc(N(C)C)nc1=O.CC(C)n1ccc2c(=O)n(C)c(N)nc21.CC(C)n1ccc2c(=O)n(C)cnc21.CC(C)n1ccc2c(N(C)C)ccnc21.CC(C)n1ccc2c(N(C)C)ncnc21.CC(C)n1cnc2c(=O)n(C)c(N)nc21.CC(C)n1cnc2c(=O)n(C)cnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)ccnc21.CNc1ccn(C(C)C)c(=O)n1.CNc1ccnc2c1ccn2C(C)C.CNc1ccnc2c1ncn2C(C)C.CNc1ncnc2c1ccn2C(C)C.CNc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C12H17N3.3C11H16N4.C11H15N3.C10H15N5.C10H14N4O.2C10H14N4.C10H13N3O.C9H13N5O.C9H13N5.C9H12N4O.C9H12N4.C9H15N3O.C9H14N2O2.C9H16N2O.C9H13NO2.C8H13N3O/c1-9(2)15-8-6-10-11(14(3)4)5-7-13-12(10)15;2*1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-8(2)15-6-5-9-10(14(3)4)12-7-13-11(9)15;1-8(2)14-7-5-9-10(12-3)4-6-13-11(9)14;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-6(2)14-5-4-7-8(14)12-10(11)13(3)9(7)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-7(2)14-5-4-8-9(11-3)12-6-13-10(8)14;1-7(2)13-5-4-8-9(13)11-6-12(3)10(8)14;1-5(2)14-4-11-6-7(14)12-9(10)13(3)8(6)15;1-6(2)14-5-13-7-8(10-3)11-4-12-9(7)14;1-6(2)13-5-10-7-8(13)11-4-12(3)9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-7(2)12-6-5-8(11(3)4)10-9(12)13;1-6(2)7-5-8(12)11(4)9(13)10(7)3;1-7(2)11-6-5-9(12)10(4)8(11)3;1-6(2)8-4-7(11)5-9(12)10(8)3;1-6(2)11-5-4-7(9-3)10-8(11)12/h5-9H,1-4H3;3*5-8H,1-4H3;4-8H,1-3H3,(H,12,13);5-7H,1-4H3;4-6H,1-3H3,(H2,11,12);4-7H,1-3H3,(H,11,12);4-7H,1-3H3,(H,11,12,13);4-7H,1-3H3;4-5H,1-3H3,(H2,10,12);4-6H,1-3H3,(H,10,11,12);4-6H,1-3H3;3-6H,1-2H3,(H2,10,11);5-7H,1-4H3;5-6H,1-4H3;5-8H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3,(H,9,10,12)
InChIKeyADCXQTGAIWEALM-UHFFFAOYSA-N
XLogP27.37
TPSA824.52 Ų
H-Bond Donors8
H-Bond Acceptors76
Rotatable Bonds30
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003621.67
LogP ≤ 527.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1076

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

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CID 58768631
7-cycloheptyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 53379014
4-[[5-[4-(3-Methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 86279758
1-[(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-phenylpyrrolidin-1-yl]ethanone
CID 45139234
2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cycloheptyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 53377615
7-cyclopentyl-N,N-dimethyl-2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355422
7-cycloheptyl-N,N-dimethyl-2-(5-((3aS,7aR)-6-oxotetrahydro-1H-pyrrolo[3,4-c]pyridin-5(6H,7H,7aH)-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355451
7-cyclopentyl-2-[[5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-N-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355584
7-cyclohexyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355681
2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355877
7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67356716
US9464092, Hhh
CID 68029751

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine (CID 157077343) is 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine is CC(C)C1=CC(=O)CC(=O)N1C.CC(C)N1C=CC(=O)N(C)C1C.CC(C)c1cc(=O)n(C)c(=O)n1C.CC(C)n1ccc(N(C)C)nc1=O.CC(C)n1ccc2c(=O)n(C)c(N)nc21.CC(C)n1ccc2c(=O)n(C)cnc21.CC(C)n1ccc2c(N(C)C)ccnc21.CC(C)n1ccc2c(N(C)C)ncnc21.CC(C)n1cnc2c(=O)n(C)c(N)nc21.CC(C)n1cnc2c(=O)n(C)cnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)ccnc21.CNc1ccn(C(C)C)c(=O)n1.CNc1ccnc2c1ccn2C(C)C.CNc1ccnc2c1ncn2C(C)C.CNc1ncnc2c1ccn2C(C)C.CNc1ncnc2c1ncn2C(C)C.
What is the InChIKey of 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is ADCXQTGAIWEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.3C11H16N4.C11H15N3.C10H15N5.C10H14N4O.2C10H14N4.C10H13N3O.C9H13N5O.C9H13N5.C9H12N4O.C9H12N4.C9H15N3O.C9H14N2O2.C9H16N2O.C9H13NO2.C8H13N3O/c1-9(2)15-8-6-10-11(14(3)4)5-7-13-12(10)15;2*1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-8(2)15-6-5-9-10(14(3)4)12-7-13-11(9)15;1-8(2)14-7-5-9-10(12-3)4-6-13-11(9)14;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-6(2)14-5-4-7-8(14)12-10(11)13(3)9(7)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-7(2)14-5-4-8-9(11-3)12-6-13-10(8)14;1-7(2)13-5-4-8-9(13)11-6-12(3)10(8)14;1-5(2)14-4-11-6-7(14)12-9(10)13(3)8(6)15;1-6(2)14-5-13-7-8(10-3)11-4-12-9(7)14;1-6(2)13-5-10-7-8(13)11-4-12(3)9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-7(2)12-6-5-8(11(3)4)10-9(12)13;1-6(2)7-5-8(12)11(4)9(13)10(7)3;1-7(2)11-6-5-9(12)10(4)8(11)3;1-6(2)8-4-7(11)5-9(12)10(8)3;1-6(2)11-5-4-7(9-3)10-8(11)12/h5-9H,1-4H3;3*5-8H,1-4H3;4-8H,1-3H3,(H,12,13);5-7H,1-4H3;4-6H,1-3H3,(H2,11,12);4-7H,1-3H3,(H,11,12);4-7H,1-3H3,(H,11,12,13);4-7H,1-3H3;4-5H,1-3H3,(H2,10,12);4-6H,1-3H3,(H,10,11,12);4-6H,1-3H3;3-6H,1-2H3,(H2,10,11);5-7H,1-4H3;5-6H,1-4H3;5-8H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3,(H,9,10,12).
What are the key properties of 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 3621.67 g/mol, XLogP of 27.37, 30 rotatable bonds, 8 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-9-propan-2-ylpurin-6-one;2-amino-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;4-(dimethylamino)-1-propan-2-ylpyrimidin-2-one;bis(N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);N,N-dimethyl-9-propan-2-ylpurin-6-amine;1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione;2,3-dimethyl-1-propan-2-yl-2H-pyrimidin-4-one;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N,N-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-(methylamino)-1-propan-2-ylpyrimidin-2-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N-methyl-9-propan-2-ylpurin-6-amine;1-methyl-9-propan-2-ylpurin-6-one;1-methyl-6-propan-2-ylpyridine-2,4-dione;N-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 157077343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).