4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine

C65H52F3N21O8S5 — CID 161043885

IUPAC4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine
SMILESC=Cc1csc2c(N)ncnc12.Cc1ccc(N)cc1NC(=O)c1csc2c(N)ncnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(N)ncnc12.Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc2c(N)ncnc12.Nc1ncnc2c(C(=O)O)csc12
InChIInChI=1S/C22H16F3N5O2S.C14H11N5O3S.C14H13N5OS.C8H7N3S.C7H5N3O2S/c1-11-5-6-14(29-20(31)12-3-2-4-13(7-12)22(23,24)25)8-16(11)30-21(32)15-9-33-18-17(15)27-10-28-19(18)26;1-7-2-3-8(19(21)22)4-10(7)18-14(20)9-5-23-12-11(9)16-6-17-13(12)15;1-7-2-3-8(15)4-10(7)19-14(20)9-5-21-12-11(9)17-6-18-13(12)16;1-2-5-3-12-7-6(5)10-4-11-8(7)9;8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h2-10H,1H3,(H,29,31)(H,30,32)(H2,26,27,28);2-6H,1H3,(H,18,20)(H2,15,16,17);2-6H,15H2,1H3,(H,19,20)(H2,16,17,18);2-4H,1H2,(H2,9,10,11);1-2H,(H,11,12)(H2,8,9,10)
InChIKeyUBFYOTSEBDSEND-UHFFFAOYSA-N
MW1472.60 g/mol
LogP13.15
Rot. Bonds11

About 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine

4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 161043885) has the molecular formula C65H52F3N21O8S5 and a molecular weight of 1472.60 g/mol. Its IUPAC name is 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID161043885
Molecular FormulaC65H52F3N21O8S5
Molecular Weight1472.60 g/mol
Exact Mass1471.29
IUPAC Name4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine
SMILESC=Cc1csc2c(N)ncnc12.Cc1ccc(N)cc1NC(=O)c1csc2c(N)ncnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(N)ncnc12.Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc2c(N)ncnc12.Nc1ncnc2c(C(=O)O)csc12
InChIInChI=1S/C22H16F3N5O2S.C14H11N5O3S.C14H13N5OS.C8H7N3S.C7H5N3O2S/c1-11-5-6-14(29-20(31)12-3-2-4-13(7-12)22(23,24)25)8-16(11)30-21(32)15-9-33-18-17(15)27-10-28-19(18)26;1-7-2-3-8(19(21)22)4-10(7)18-14(20)9-5-23-12-11(9)16-6-17-13(12)15;1-7-2-3-8(15)4-10(7)19-14(20)9-5-21-12-11(9)17-6-18-13(12)16;1-2-5-3-12-7-6(5)10-4-11-8(7)9;8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h2-10H,1H3,(H,29,31)(H,30,32)(H2,26,27,28);2-6H,1H3,(H,18,20)(H2,15,16,17);2-6H,15H2,1H3,(H,19,20)(H2,16,17,18);2-4H,1H2,(H2,9,10,11);1-2H,(H,11,12)(H2,8,9,10)
InChIKeyUBFYOTSEBDSEND-UHFFFAOYSA-N
XLogP13.15
TPSA481.86 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001472.60
LogP ≤ 513.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(cyclopropylamino)thieno[3,2-d]pyrimidine-7-carboxamide;tert-butyl N-(3-amino-4-methylphenyl)carbamate;tert-butyl N-[3-[[4-(cyclopropylamino)thieno[3,2-d]pyrimidine-7-carbonyl]amino]-4-methylphenyl]carbamate;4-(cyclopropylamino)-N-[2-methyl-5-[[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-(cyclopropylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid;deuterio(fluoro)methane;methane
CID 158965521

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine (CID 161043885) is 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine is C=Cc1csc2c(N)ncnc12.Cc1ccc(N)cc1NC(=O)c1csc2c(N)ncnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(N)ncnc12.Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc2c(N)ncnc12.Nc1ncnc2c(C(=O)O)csc12.
What is the InChIKey of 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UBFYOTSEBDSEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2S.C14H11N5O3S.C14H13N5OS.C8H7N3S.C7H5N3O2S/c1-11-5-6-14(29-20(31)12-3-2-4-13(7-12)22(23,24)25)8-16(11)30-21(32)15-9-33-18-17(15)27-10-28-19(18)26;1-7-2-3-8(19(21)22)4-10(7)18-14(20)9-5-23-12-11(9)16-6-17-13(12)15;1-7-2-3-8(15)4-10(7)19-14(20)9-5-21-12-11(9)17-6-18-13(12)16;1-2-5-3-12-7-6(5)10-4-11-8(7)9;8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h2-10H,1H3,(H,29,31)(H,30,32)(H2,26,27,28);2-6H,1H3,(H,18,20)(H2,15,16,17);2-6H,15H2,1H3,(H,19,20)(H2,16,17,18);2-4H,1H2,(H2,9,10,11);1-2H,(H,11,12)(H2,8,9,10).
What are the key properties of 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine?
4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1472.60 g/mol, XLogP of 13.15, 11 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-amino-2-methylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-(2-methyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide;4-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid;7-ethenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 161043885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).