9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine

C95H131N41O4S4 — CID 158588287

IUPAC9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1scc2c(N)ncnc12.CC(C)(C)c1snc2c(N)ncnc12.CC(C)(C)n1ccc2c(N)ncnc21.CC(C)(C)n1cnc2c(=O)[nH]cnc21.CC(C)(C)n1cnc2c(N)ncnc21.CC(C)(C)n1ncc2c(N)nnnc21.Cc1nc(N)c2nnn(C(C)(C)C)c2n1.Cc1nc2c(C(C)(C)C)scc2c(=O)[nH]1.Cc1nc2c(C(C)(C)C)snc2c(=O)[nH]1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H14N2OS.C10H14N4O.C10H14N4.C10H13N3OS.C10H13N3S.C9H14N6.C9H13N5.C9H12N4O.C9H12N4S.C8H12N6/c1-6-12-8-7(10(14)13-6)5-15-9(8)11(2,3)4;1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;1-10(2,3)14-5-4-7-8(11)12-6-13-9(7)14;1-5-11-6-7(9(14)12-5)13-15-8(6)10(2,3)4;1-10(2,3)8-7-6(4-14-8)9(11)13-5-12-7;1-5-11-7(10)6-8(12-5)15(14-13-6)9(2,3)4;1-9(2,3)14-5-13-6-7(10)11-4-12-8(6)14;1-9(2,3)13-5-12-6-7(13)10-4-11-8(6)14;1-9(2,3)7-5-6(13-14-7)8(10)12-4-11-5;1-8(2,3)14-7-5(4-10-14)6(9)11-13-12-7/h5H,1-4H3,(H,12,13,14);5H,1-4H3,(H,12,13,15);4-6H,1-3H3,(H2,11,12,13);1-4H3,(H,11,12,14);4-5H,1-3H3,(H2,11,12,13);1-4H3,(H2,10,11,12);4-5H,1-3H3,(H2,10,11,12);4-5H,1-3H3,(H,10,11,14);4H,1-3H3,(H2,10,11,12);4H,1-3H3,(H2,9,11,12)
InChIKeyHUCNJHSQYKUKBR-UHFFFAOYSA-N
MW2039.64 g/mol
LogP15.53
Rot. Bonds

About 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine

9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine (PubChem CID 158588287) has the molecular formula C95H131N41O4S4 and a molecular weight of 2039.64 g/mol. Its IUPAC name is 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine
PubChem CID158588287
Molecular FormulaC95H131N41O4S4
Molecular Weight2039.64 g/mol
Exact Mass2038.02
IUPAC Name9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1scc2c(N)ncnc12.CC(C)(C)c1snc2c(N)ncnc12.CC(C)(C)n1ccc2c(N)ncnc21.CC(C)(C)n1cnc2c(=O)[nH]cnc21.CC(C)(C)n1cnc2c(N)ncnc21.CC(C)(C)n1ncc2c(N)nnnc21.Cc1nc(N)c2nnn(C(C)(C)C)c2n1.Cc1nc2c(C(C)(C)C)scc2c(=O)[nH]1.Cc1nc2c(C(C)(C)C)snc2c(=O)[nH]1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H14N2OS.C10H14N4O.C10H14N4.C10H13N3OS.C10H13N3S.C9H14N6.C9H13N5.C9H12N4O.C9H12N4S.C8H12N6/c1-6-12-8-7(10(14)13-6)5-15-9(8)11(2,3)4;1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;1-10(2,3)14-5-4-7-8(11)12-6-13-9(7)14;1-5-11-6-7(9(14)12-5)13-15-8(6)10(2,3)4;1-10(2,3)8-7-6(4-14-8)9(11)13-5-12-7;1-5-11-7(10)6-8(12-5)15(14-13-6)9(2,3)4;1-9(2,3)14-5-13-6-7(10)11-4-12-8(6)14;1-9(2,3)13-5-12-6-7(13)10-4-11-8(6)14;1-9(2,3)7-5-6(13-14-7)8(10)12-4-11-5;1-8(2,3)14-7-5(4-10-14)6(9)11-13-12-7/h5H,1-4H3,(H,12,13,14);5H,1-4H3,(H,12,13,15);4-6H,1-3H3,(H2,11,12,13);1-4H3,(H,11,12,14);4-5H,1-3H3,(H2,11,12,13);1-4H3,(H2,10,11,12);4-5H,1-3H3,(H2,10,11,12);4-5H,1-3H3,(H,10,11,14);4H,1-3H3,(H2,10,11,12);4H,1-3H3,(H2,9,11,12)
InChIKeyHUCNJHSQYKUKBR-UHFFFAOYSA-N
XLogP15.53
TPSA639.39 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002039.64
LogP ≤ 515.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Analyze 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[5-[7-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137104373
8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 157097527
1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide
CID 157210933
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 157223866
N-ethyl-N-[3-(3-isocyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide;N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide;pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 157295727
3,5-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-imidazole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 157440253
methane;N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[1-(oxan-4-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[5-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 157683260
6-[5-(1-Methylpyrazol-3-yl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-(6-methyl-2-pyridinyl)indol-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;6-[2-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157722407
2-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-phenyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 157837073
1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157875946
5-amino-1-propan-2-ylimidazole-4-carboxamide;9-tert-butyl-2-fluoropurin-6-amine;3-tert-butyl-N-methylimidazo[4,5-b]pyridin-7-amine;9-tert-butyl-2-methylpurine;3-tert-butyl-7-methylsulfanylimidazo[4,5-b]pyridine;9-tert-butylpurine-2,6-diamine;9-tert-butyl-3H-purine-6-thione;2-chloro-9-propan-2-ylpurin-6-amine;2,5-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
CID 157881987
2-amino-7-tert-butyl-3H-thieno[3,4-d]pyrimidin-4-one;9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;3-tert-butyl-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;9-tert-butyl-1H-purin-6-one;7-tert-butyl-6H-pyrazolo[3,4-d]triazin-7-ium-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-b]pyridin-4-amine;3-tert-butyltriazolo[4,5-d]pyrimidin-7-amine;methane
CID 157896867

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine (CID 158588287) is 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine is CC(C)(C)c1scc2c(N)ncnc12.CC(C)(C)c1snc2c(N)ncnc12.CC(C)(C)n1ccc2c(N)ncnc21.CC(C)(C)n1cnc2c(=O)[nH]cnc21.CC(C)(C)n1cnc2c(N)ncnc21.CC(C)(C)n1ncc2c(N)nnnc21.Cc1nc(N)c2nnn(C(C)(C)C)c2n1.Cc1nc2c(C(C)(C)C)scc2c(=O)[nH]1.Cc1nc2c(C(C)(C)C)snc2c(=O)[nH]1.Cc1nc2c(ncn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine?
The InChIKey is HUCNJHSQYKUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS.C10H14N4O.C10H14N4.C10H13N3OS.C10H13N3S.C9H14N6.C9H13N5.C9H12N4O.C9H12N4S.C8H12N6/c1-6-12-8-7(10(14)13-6)5-15-9(8)11(2,3)4;1-6-12-8-7(9(15)13-6)11-5-14(8)10(2,3)4;1-10(2,3)14-5-4-7-8(11)12-6-13-9(7)14;1-5-11-6-7(9(14)12-5)13-15-8(6)10(2,3)4;1-10(2,3)8-7-6(4-14-8)9(11)13-5-12-7;1-5-11-7(10)6-8(12-5)15(14-13-6)9(2,3)4;1-9(2,3)14-5-13-6-7(10)11-4-12-8(6)14;1-9(2,3)13-5-12-6-7(13)10-4-11-8(6)14;1-9(2,3)7-5-6(13-14-7)8(10)12-4-11-5;1-8(2,3)14-7-5(4-10-14)6(9)11-13-12-7/h5H,1-4H3,(H,12,13,14);5H,1-4H3,(H,12,13,15);4-6H,1-3H3,(H2,11,12,13);1-4H3,(H,11,12,14);4-5H,1-3H3,(H2,11,12,13);1-4H3,(H2,10,11,12);4-5H,1-3H3,(H2,10,11,12);4-5H,1-3H3,(H,10,11,14);4H,1-3H3,(H2,10,11,12);4H,1-3H3,(H2,9,11,12).
What are the key properties of 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine?
9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine has a molecular weight of 2039.64 g/mol, XLogP of 15.53, 0 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-methyl-1H-purin-6-one;3-tert-butyl-5-methyl-6H-[1,2]thiazolo[4,3-d]pyrimidin-7-one;7-tert-butyl-2-methyl-3H-thieno[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine;9-tert-butylpurin-6-amine;9-tert-butyl-1H-purin-6-one;7-tert-butylpyrazolo[3,4-d]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-[1,2]thiazolo[4,3-d]pyrimidin-7-amine;7-tert-butylthieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158588287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).