7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine

C98H94BrClN32O4S4 — CID 161178890

IUPAC7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESC=C(N)Cn1cnc2nc(-c3ccccn3)nc(N)c21.C=C1NC(CNC(=O)Cn2cnc3nc(-c4ccccn4)nc(N)c32)=NC=C1OC.CCOCC.CCOCC.Cc1csc2c(N)nc(-c3ccccn3)nc12.Cc1sc2c(N)nc(-c3ccccn3)nc2c1Br.Nc1nc(-c2ccccn2)nc2c(-c3ccccc3)csc12.Nc1nc(-c2ccccn2)nc2c(-c3ccccc3Cl)csc12
InChIInChI=1S/C19H19N9O2.C17H11ClN4S.C17H12N4S.C13H13N7.C12H9BrN4S.C12H10N4S.2C4H10O/c1-11-13(30-2)7-22-14(25-11)8-23-15(29)9-28-10-24-19-16(28)17(20)26-18(27-19)12-5-3-4-6-21-12;18-12-6-2-1-5-10(12)11-9-23-15-14(11)21-17(22-16(15)19)13-7-3-4-8-20-13;18-16-15-14(12(10-22-15)11-6-2-1-3-7-11)20-17(21-16)13-8-4-5-9-19-13;1-8(14)6-20-7-17-13-10(20)11(15)18-12(19-13)9-4-2-3-5-16-9;1-6-8(13)9-10(18-6)11(14)17-12(16-9)7-4-2-3-5-15-7;1-7-6-17-10-9(7)15-12(16-11(10)13)8-4-2-3-5-14-8;2*1-3-5-4-2/h3-7,10H,1,8-9H2,2H3,(H,22,25)(H,23,29)(H2,20,26,27);1-9H,(H2,19,21,22);1-10H,(H2,18,20,21);2-5,7H,1,6,14H2,(H2,15,18,19);2-5H,1H3,(H2,14,16,17);2-6H,1H3,(H2,13,15,16);2*3-4H2,1-2H3
InChIKeyUSEIDEZALYGSHX-UHFFFAOYSA-N
MW2027.67 g/mol
LogP18.33
Rot. Bonds19

About 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine

7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 161178890) has the molecular formula C98H94BrClN32O4S4 and a molecular weight of 2027.67 g/mol. Its IUPAC name is 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID161178890
Molecular FormulaC98H94BrClN32O4S4
Molecular Weight2027.67 g/mol
Exact Mass2024.59
IUPAC Name7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESC=C(N)Cn1cnc2nc(-c3ccccn3)nc(N)c21.C=C1NC(CNC(=O)Cn2cnc3nc(-c4ccccn4)nc(N)c32)=NC=C1OC.CCOCC.CCOCC.Cc1csc2c(N)nc(-c3ccccn3)nc12.Cc1sc2c(N)nc(-c3ccccn3)nc2c1Br.Nc1nc(-c2ccccn2)nc2c(-c3ccccc3)csc12.Nc1nc(-c2ccccn2)nc2c(-c3ccccc3Cl)csc12
InChIInChI=1S/C19H19N9O2.C17H11ClN4S.C17H12N4S.C13H13N7.C12H9BrN4S.C12H10N4S.2C4H10O/c1-11-13(30-2)7-22-14(25-11)8-23-15(29)9-28-10-24-19-16(28)17(20)26-18(27-19)12-5-3-4-6-21-12;18-12-6-2-1-5-10(12)11-9-23-15-14(11)21-17(22-16(15)19)13-7-3-4-8-20-13;18-16-15-14(12(10-22-15)11-6-2-1-3-7-11)20-17(21-16)13-8-4-5-9-19-13;1-8(14)6-20-7-17-13-10(20)11(15)18-12(19-13)9-4-2-3-5-16-9;1-6-8(13)9-10(18-6)11(14)17-12(16-9)7-4-2-3-5-15-7;1-7-6-17-10-9(7)15-12(16-11(10)13)8-4-2-3-5-14-8;2*1-3-5-4-2/h3-7,10H,1,8-9H2,2H3,(H,22,25)(H,23,29)(H2,20,26,27);1-9H,(H2,19,21,22);1-10H,(H2,18,20,21);2-5,7H,1,6,14H2,(H2,15,18,19);2-5H,1H3,(H2,14,16,17);2-6H,1H3,(H2,13,15,16);2*3-4H2,1-2H3
InChIKeyUSEIDEZALYGSHX-UHFFFAOYSA-N
XLogP18.33
TPSA530.98 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002027.67
LogP ≤ 518.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-(5-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-2-(6-morpholin-4-yl-2-pyridin-2-ylpurin-7-yl)acetamide;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-(6-morpholin-4-yl-2-pyridin-2-ylpurin-7-yl)acetamide;4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carbonitrile;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 158285657
4-[2-(4,5-Dibromoimidazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-(4,5-dibromothiophen-3-yl)pyrimidin-4-yl]morpholine;4-[2-(4,5-dichlorothiophen-3-yl)pyrimidin-4-yl]morpholine;1-(4-isocyano-5-phenylthiophen-2-yl)piperidine;1-methyl-3-(5-piperidin-1-ylthiophen-2-yl)imidazol-2-one;2-piperidin-1-yl-4-pyridin-2-yl-1,3-thiazole;2-piperidin-1-yl-4-pyridin-3-yl-1,3-thiazole
CID 161834588
5-(7-Bromo-2-chloro-6-methylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[[4-(2-aminopyrimidin-5-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 162215989

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine (CID 161178890) is 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine is C=C(N)Cn1cnc2nc(-c3ccccn3)nc(N)c21.C=C1NC(CNC(=O)Cn2cnc3nc(-c4ccccn4)nc(N)c32)=NC=C1OC.CCOCC.CCOCC.Cc1csc2c(N)nc(-c3ccccn3)nc12.Cc1sc2c(N)nc(-c3ccccn3)nc2c1Br.Nc1nc(-c2ccccn2)nc2c(-c3ccccc3)csc12.Nc1nc(-c2ccccn2)nc2c(-c3ccccc3Cl)csc12.
What is the InChIKey of 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is USEIDEZALYGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O2.C17H11ClN4S.C17H12N4S.C13H13N7.C12H9BrN4S.C12H10N4S.2C4H10O/c1-11-13(30-2)7-22-14(25-11)8-23-15(29)9-28-10-24-19-16(28)17(20)26-18(27-19)12-5-3-4-6-21-12;18-12-6-2-1-5-10(12)11-9-23-15-14(11)21-17(22-16(15)19)13-7-3-4-8-20-13;18-16-15-14(12(10-22-15)11-6-2-1-3-7-11)20-17(21-16)13-8-4-5-9-19-13;1-8(14)6-20-7-17-13-10(20)11(15)18-12(19-13)9-4-2-3-5-16-9;1-6-8(13)9-10(18-6)11(14)17-12(16-9)7-4-2-3-5-15-7;1-7-6-17-10-9(7)15-12(16-11(10)13)8-4-2-3-5-14-8;2*1-3-5-4-2/h3-7,10H,1,8-9H2,2H3,(H,22,25)(H,23,29)(H2,20,26,27);1-9H,(H2,19,21,22);1-10H,(H2,18,20,21);2-5,7H,1,6,14H2,(H2,15,18,19);2-5H,1H3,(H2,14,16,17);2-6H,1H3,(H2,13,15,16);2*3-4H2,1-2H3.
What are the key properties of 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine?
7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 2027.67 g/mol, XLogP of 18.33, 19 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoprop-2-enyl)-2-pyridin-2-ylpurin-6-amine;2-(6-amino-2-pyridin-2-ylpurin-7-yl)-N-[(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methyl]acetamide;7-bromo-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;ethoxyethane;7-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 161178890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).