1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane

C81H68F6N22O4S4 — CID 158219104

IUPAC1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane
SMILESC.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4ccccc4C(F)(F)F)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4ccccn4)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4cccnc4)c3)c2c1N
InChIInChI=1S/2C21H16F3N5OS.2C19H16N6OS.CH4/c1-11-17(25)16-18(26-10-27-19(16)31-11)12-4-2-6-14(8-12)28-20(30)29-15-7-3-5-13(9-15)21(22,23)24;1-11-17(25)16-18(26-10-27-19(16)31-11)12-5-4-6-13(9-12)28-20(30)29-15-8-3-2-7-14(15)21(22,23)24;1-11-16(20)15-17(22-10-23-18(15)27-11)12-4-2-5-13(8-12)24-19(26)25-14-6-3-7-21-9-14;1-11-16(20)15-17(22-10-23-18(15)27-11)12-5-4-6-13(9-12)24-19(26)25-14-7-2-3-8-21-14;/h2*2-10H,25H2,1H3,(H2,28,29,30);2-10H,20H2,1H3,(H2,24,25,26);2-10H,20H2,1H3,(H2,21,24,25,26);1H4
InChIKeyGDAGUFSNOIXQIA-UHFFFAOYSA-N
MW1655.84 g/mol
LogP21.04
Rot. Bonds12

About 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane

1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane (PubChem CID 158219104) has the molecular formula C81H68F6N22O4S4 and a molecular weight of 1655.84 g/mol. Its IUPAC name is 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane.

Molecular Properties

Compound Name1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane
PubChem CID158219104
Molecular FormulaC81H68F6N22O4S4
Molecular Weight1655.84 g/mol
Exact Mass1654.46
IUPAC Name1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane
SMILESC.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4ccccc4C(F)(F)F)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4ccccn4)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4cccnc4)c3)c2c1N
InChIInChI=1S/2C21H16F3N5OS.2C19H16N6OS.CH4/c1-11-17(25)16-18(26-10-27-19(16)31-11)12-4-2-6-14(8-12)28-20(30)29-15-7-3-5-13(9-15)21(22,23)24;1-11-17(25)16-18(26-10-27-19(16)31-11)12-5-4-6-13(9-12)28-20(30)29-15-8-3-2-7-14(15)21(22,23)24;1-11-16(20)15-17(22-10-23-18(15)27-11)12-4-2-5-13(8-12)24-19(26)25-14-6-3-7-21-9-14;1-11-16(20)15-17(22-10-23-18(15)27-11)12-5-4-6-13(9-12)24-19(26)25-14-7-2-3-8-21-14;/h2*2-10H,25H2,1H3,(H2,28,29,30);2-10H,20H2,1H3,(H2,24,25,26);2-10H,20H2,1H3,(H2,21,24,25,26);1H4
InChIKeyGDAGUFSNOIXQIA-UHFFFAOYSA-N
XLogP21.04
TPSA397.50 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.84
LogP ≤ 521.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane with MolForge

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Related Compounds

1-[5-[2-[[6-[2-(4-Methylpiperazin-1-yl)pyridin-4-yl]thieno[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57886412
CID 157079386
CID 157079386
6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(1-methoxypropan-2-yl)-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-[2-(trifluoromethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 157826901
2-(4-ethyl-2-fluorophenyl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;bis(2-(4-ethylphenyl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone);2-(1H-indol-6-yl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-(5-methylidenepyrrolidin-2-yl)phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 157995868
1-[5-[4-(2-Amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 159969811
Bis(1-[3-(2-amino-4-pyridin-4-yl-1,3-thiazol-5-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea);1-[5-(2-amino-4-pyridin-4-yl-1,3-thiazol-5-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[2-(3-piperidin-1-ylpropyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 161096078
4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 87282466
6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(6-amino-3-pyridinyl)-2-[(R)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(2-aminopyrimidin-5-yl)-2-[(S)-butylsulfinyl]-4-(4-fluorophenyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine
CID 157167058
2-amino-N,N-diethylacetamide;2-amino-N-(2-methylpropyl)acetamide;2-amino-1-piperidin-1-ylethanone;N-cyclopentyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-cyclopropyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;tris(N,N-diethyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine)
CID 157566149
[1]Benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;ethane;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157814663
8-(Dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 157863434

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane?
The IUPAC name of 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane (CID 158219104) is 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane.
What is the SMILES notation for 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane?
The canonical SMILES for 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane is C.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4ccccc4C(F)(F)F)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4ccccn4)c3)c2c1N.Cc1sc2ncnc(-c3cccc(NC(=O)Nc4cccnc4)c3)c2c1N.
What is the InChIKey of 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane?
The InChIKey is GDAGUFSNOIXQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16F3N5OS.2C19H16N6OS.CH4/c1-11-17(25)16-18(26-10-27-19(16)31-11)12-4-2-6-14(8-12)28-20(30)29-15-7-3-5-13(9-15)21(22,23)24;1-11-17(25)16-18(26-10-27-19(16)31-11)12-5-4-6-13(9-12)28-20(30)29-15-8-3-2-7-14(15)21(22,23)24;1-11-16(20)15-17(22-10-23-18(15)27-11)12-4-2-5-13(8-12)24-19(26)25-14-6-3-7-21-9-14;1-11-16(20)15-17(22-10-23-18(15)27-11)12-5-4-6-13(9-12)24-19(26)25-14-7-2-3-8-21-14;/h2*2-10H,25H2,1H3,(H2,28,29,30);2-10H,20H2,1H3,(H2,24,25,26);2-10H,20H2,1H3,(H2,21,24,25,26);1H4.
What are the key properties of 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane?
1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane has a molecular weight of 1655.84 g/mol, XLogP of 21.04, 12 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane is sourced from PubChem (CID 158219104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).