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

C92H100F4N22O10S4 — CID 158965521

IUPACN-(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
SMILESC.Cc1ccc(N)cc1NC(=O)c1csc2c(NC3CC3)ncnc12.Cc1ccc(NC(=O)OC(C)(C)C)cc1N.Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1csc2c(NC3CC3)ncnc12.Cc1cn(-c2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4csc5c(NC6CC6)ncnc45)c3)cc2C(F)(F)F)cn1.O=C(O)c1csc2c(NC3CC3)ncnc12.[2H]CF
InChIInChI=1S/C29H24F3N7O2S.C22H25N5O3S.C17H17N5OS.C12H18N2O2.C10H9N3O2S.CH3F.CH4/c1-15-3-5-19(37-27(40)17-4-8-23(21(9-17)29(30,31)32)39-11-16(2)35-14-39)10-22(15)38-28(41)20-12-42-25-24(20)33-13-34-26(25)36-18-6-7-18;1-12-5-6-14(26-21(29)30-22(2,3)4)9-16(12)27-20(28)15-10-31-18-17(15)23-11-24-19(18)25-13-7-8-13;1-9-2-3-10(18)6-13(9)22-17(23)12-7-24-15-14(12)19-8-20-16(15)21-11-4-5-11;1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4;14-10(15)6-3-16-8-7(6)11-4-12-9(8)13-5-1-2-5;1-2;/h3-5,8-14,18H,6-7H2,1-2H3,(H,37,40)(H,38,41)(H,33,34,36);5-6,9-11,13H,7-8H2,1-4H3,(H,26,29)(H,27,28)(H,23,24,25);2-3,6-8,11H,4-5,18H2,1H3,(H,22,23)(H,19,20,21);5-7H,13H2,1-4H3,(H,14,15);3-5H,1-2H2,(H,14,15)(H,11,12,13);1H3;1H4/i;;;;;1D;
InChIKeyJNDNWHSCRTZNLY-OGKIIUBNSA-N
MW1879.22 g/mol
LogP21.28
Rot. Bonds20

About 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

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 (PubChem CID 158965521) has the molecular formula C92H100F4N22O10S4 and a molecular weight of 1879.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158965521
Molecular FormulaC92H100F4N22O10S4
Molecular Weight1879.22 g/mol
Exact Mass1877.69
IUPAC NameN-(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
SMILESC.Cc1ccc(N)cc1NC(=O)c1csc2c(NC3CC3)ncnc12.Cc1ccc(NC(=O)OC(C)(C)C)cc1N.Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1csc2c(NC3CC3)ncnc12.Cc1cn(-c2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4csc5c(NC6CC6)ncnc45)c3)cc2C(F)(F)F)cn1.O=C(O)c1csc2c(NC3CC3)ncnc12.[2H]CF
InChIInChI=1S/C29H24F3N7O2S.C22H25N5O3S.C17H17N5OS.C12H18N2O2.C10H9N3O2S.CH3F.CH4/c1-15-3-5-19(37-27(40)17-4-8-23(21(9-17)29(30,31)32)39-11-16(2)35-14-39)10-22(15)38-28(41)20-12-42-25-24(20)33-13-34-26(25)36-18-6-7-18;1-12-5-6-14(26-21(29)30-22(2,3)4)9-16(12)27-20(28)15-10-31-18-17(15)23-11-24-19(18)25-13-7-8-13;1-9-2-3-10(18)6-13(9)22-17(23)12-7-24-15-14(12)19-8-20-16(15)21-11-4-5-11;1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4;14-10(15)6-3-16-8-7(6)11-4-12-9(8)13-5-1-2-5;1-2;/h3-5,8-14,18H,6-7H2,1-2H3,(H,37,40)(H,38,41)(H,33,34,36);5-6,9-11,13H,7-8H2,1-4H3,(H,26,29)(H,27,28)(H,23,24,25);2-3,6-8,11H,4-5,18H2,1H3,(H,22,23)(H,19,20,21);5-7H,13H2,1-4H3,(H,14,15);3-5H,1-2H2,(H,14,15)(H,11,12,13);1H3;1H4/i;;;;;1D;
InChIKeyJNDNWHSCRTZNLY-OGKIIUBNSA-N
XLogP21.28
TPSA451.46 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001879.22
LogP ≤ 521.28
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

[4-[2-(3-amino-4-methylphenyl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl acetate;bis(4-(cyclopropylamino)-N-[5-[2-[4-ethyl-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide);4-(cyclopropylamino)-N-[5-[2-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-(cyclopropylamino)-N-[2-methyl-5-[2-[4-[(4-methylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-(cyclopropylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid;methane
CID 158622197
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1ccc(N)cc1NC(=O)c1csc2c(NC3CC3)ncnc12.Cc1ccc(NC(=O)OC(C)(C)C)cc1N.Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1csc2c(NC3CC3)ncnc12.Cc1cn(-c2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4csc5c(NC6CC6)ncnc45)c3)cc2C(F)(F)F)cn1.O=C(O)c1csc2c(NC3CC3)ncnc12.[2H]CF.
What is the InChIKey of 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?
The InChIKey is JNDNWHSCRTZNLY-OGKIIUBNSA-N. The full InChI is InChI=1S/C29H24F3N7O2S.C22H25N5O3S.C17H17N5OS.C12H18N2O2.C10H9N3O2S.CH3F.CH4/c1-15-3-5-19(37-27(40)17-4-8-23(21(9-17)29(30,31)32)39-11-16(2)35-14-39)10-22(15)38-28(41)20-12-42-25-24(20)33-13-34-26(25)36-18-6-7-18;1-12-5-6-14(26-21(29)30-22(2,3)4)9-16(12)27-20(28)15-10-31-18-17(15)23-11-24-19(18)25-13-7-8-13;1-9-2-3-10(18)6-13(9)22-17(23)12-7-24-15-14(12)19-8-20-16(15)21-11-4-5-11;1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4;14-10(15)6-3-16-8-7(6)11-4-12-9(8)13-5-1-2-5;1-2;/h3-5,8-14,18H,6-7H2,1-2H3,(H,37,40)(H,38,41)(H,33,34,36);5-6,9-11,13H,7-8H2,1-4H3,(H,26,29)(H,27,28)(H,23,24,25);2-3,6-8,11H,4-5,18H2,1H3,(H,22,23)(H,19,20,21);5-7H,13H2,1-4H3,(H,14,15);3-5H,1-2H2,(H,14,15)(H,11,12,13);1H3;1H4/i;;;;;1D;.
What are the key properties of 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?
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 has a molecular weight of 1879.22 g/mol, XLogP of 21.28, 20 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158965521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).