6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C123H104N18O2S6 — CID 158360562

IUPAC6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC#Cc1cccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)c1.COc1ccccc1-c1nc(N)c2cc(Cc3ccccc3)sc2n1.COc1ccccc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1.Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.Nc1nc(-c2ccccc2)nc2sc(CCc3ccccc3)cc12
InChIInChI=1S/C22H17N3S.C21H19N3OS.C20H17N3OS.3C20H17N3S/c1-3-15-8-7-11-17(12-15)21-24-20(23)18-13-19(26-22(18)25-21)14(2)16-9-5-4-6-10-16;1-13-6-5-8-15(10-13)20-23-19(22)17-12-16(26-21(17)24-20)11-14-7-3-4-9-18(14)25-2;1-24-17-10-6-5-9-15(17)19-22-18(21)16-12-14(25-20(16)23-19)11-13-7-3-2-4-8-13;2*1-13-6-5-9-15(10-13)19-22-18(21)17-12-16(24-20(17)23-19)11-14-7-3-2-4-8-14;21-18-17-13-16(12-11-14-7-3-1-4-8-14)24-20(17)23-19(22-18)15-9-5-2-6-10-15/h1,4-14H,2H3,(H2,23,24,25);3-10,12H,11H2,1-2H3,(H2,22,23,24);2-10,12H,11H2,1H3,(H2,21,22,23);2*2-10,12H,11H2,1H3,(H2,21,22,23);1-10,13H,11-12H2,(H2,21,22,23)
InChIKeyGTKMEUDQCOHLJS-UHFFFAOYSA-N
MW2058.71 g/mol
LogP28.87
Rot. Bonds21

About 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 158360562) has the molecular formula C123H104N18O2S6 and a molecular weight of 2058.71 g/mol. Its IUPAC name is 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID158360562
Molecular FormulaC123H104N18O2S6
Molecular Weight2058.71 g/mol
Exact Mass2056.69
IUPAC Name6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC#Cc1cccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)c1.COc1ccccc1-c1nc(N)c2cc(Cc3ccccc3)sc2n1.COc1ccccc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1.Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.Nc1nc(-c2ccccc2)nc2sc(CCc3ccccc3)cc12
InChIInChI=1S/C22H17N3S.C21H19N3OS.C20H17N3OS.3C20H17N3S/c1-3-15-8-7-11-17(12-15)21-24-20(23)18-13-19(26-22(18)25-21)14(2)16-9-5-4-6-10-16;1-13-6-5-8-15(10-13)20-23-19(22)17-12-16(26-21(17)24-20)11-14-7-3-4-9-18(14)25-2;1-24-17-10-6-5-9-15(17)19-22-18(21)16-12-14(25-20(16)23-19)11-13-7-3-2-4-8-13;2*1-13-6-5-9-15(10-13)19-22-18(21)17-12-16(24-20(17)23-19)11-14-7-3-2-4-8-14;21-18-17-13-16(12-11-14-7-3-1-4-8-14)24-20(17)23-19(22-18)15-9-5-2-6-10-15/h1,4-14H,2H3,(H2,23,24,25);3-10,12H,11H2,1-2H3,(H2,22,23,24);2-10,12H,11H2,1H3,(H2,21,22,23);2*2-10,12H,11H2,1H3,(H2,21,22,23);1-10,13H,11-12H2,(H2,21,22,23)
InChIKeyGTKMEUDQCOHLJS-UHFFFAOYSA-N
XLogP28.87
TPSA329.26 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002058.71
LogP ≤ 528.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976514
2-(3-methylphenyl)-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 59278029
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59276729
[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
CID 45275289
[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59278033
6-benzyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 45274225
2-(3-ethynylphenyl)quinazolin-4-amine
CID 141438841
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
CID 45136851
6-ethyl-2-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614813
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
CID 45275518
2-amino-6-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 11380657

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 158360562) is 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is C#Cc1cccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)c1.COc1ccccc1-c1nc(N)c2cc(Cc3ccccc3)sc2n1.COc1ccccc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1.Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.Nc1nc(-c2ccccc2)nc2sc(CCc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GTKMEUDQCOHLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3S.C21H19N3OS.C20H17N3OS.3C20H17N3S/c1-3-15-8-7-11-17(12-15)21-24-20(23)18-13-19(26-22(18)25-21)14(2)16-9-5-4-6-10-16;1-13-6-5-8-15(10-13)20-23-19(22)17-12-16(26-21(17)24-20)11-14-7-3-4-9-18(14)25-2;1-24-17-10-6-5-9-15(17)19-22-18(21)16-12-14(25-20(16)23-19)11-13-7-3-2-4-8-13;2*1-13-6-5-9-15(10-13)19-22-18(21)17-12-16(24-20(17)23-19)11-14-7-3-2-4-8-14;21-18-17-13-16(12-11-14-7-3-1-4-8-14)24-20(17)23-19(22-18)15-9-5-2-6-10-15/h1,4-14H,2H3,(H2,23,24,25);3-10,12H,11H2,1-2H3,(H2,22,23,24);2-10,12H,11H2,1H3,(H2,21,22,23);2*2-10,12H,11H2,1H3,(H2,21,22,23);1-10,13H,11-12H2,(H2,21,22,23).
What are the key properties of 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2058.71 g/mol, XLogP of 28.87, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;bis(6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine);2-(3-ethynylphenyl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158360562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).