[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C108H88F2N26O6S6 — CID 161046541

IUPAC[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c3cc(C(O)c4ccccn4)sc3n2)ccn1.Cc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4F)sc3n2)o1.Cc1ccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)o1.Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4)sc3n2)n1.Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccn3)cc12.Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3cccnc3)cc12
InChIInChI=1S/2C19H16N4OS.C18H15N5OS.C18H15N5S.C17H13FN4O2S.C17H13FN4OS/c20-17-14-9-13(8-11-2-1-7-21-10-11)25-19(14)23-18(22-17)16-6-5-15(24-16)12-3-4-12;20-17-14-10-13(9-12-3-1-2-8-21-12)25-19(14)23-18(22-17)16-7-6-15(24-16)11-4-5-11;1-10-8-11(5-7-20-10)17-22-16(19)12-9-14(25-18(12)23-17)15(24)13-4-2-3-6-21-13;1-11-4-2-6-15(21-11)17-22-16(19)14-9-13(24-18(14)23-17)8-12-5-3-7-20-10-12;1-8-4-5-11(24-8)16-21-15(19)9-7-12(25-17(9)22-16)14(23)13-10(18)3-2-6-20-13;1-9-4-5-14(23-9)16-21-15(19)11-7-10(24-17(11)22-16)8-13-12(18)3-2-6-20-13/h1-2,5-7,9-10,12H,3-4,8H2,(H2,20,22,23);1-3,6-8,10-11H,4-5,9H2,(H2,20,22,23);2-9,15,24H,1H3,(H2,19,22,23);2-7,9-10H,8H2,1H3,(H2,19,22,23);2-7,14,23H,1H3,(H2,19,21,22);2-7H,8H2,1H3,(H2,19,21,22)
InChIKeyUBOOYGBPDQJZBV-UHFFFAOYSA-N
MW2076.47 g/mol
LogP22.97
Rot. Bonds20

About [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 161046541) has the molecular formula C108H88F2N26O6S6 and a molecular weight of 2076.47 g/mol. Its IUPAC name is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID161046541
Molecular FormulaC108H88F2N26O6S6
Molecular Weight2076.47 g/mol
Exact Mass2074.57
IUPAC Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c3cc(C(O)c4ccccn4)sc3n2)ccn1.Cc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4F)sc3n2)o1.Cc1ccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)o1.Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4)sc3n2)n1.Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccn3)cc12.Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3cccnc3)cc12
InChIInChI=1S/2C19H16N4OS.C18H15N5OS.C18H15N5S.C17H13FN4O2S.C17H13FN4OS/c20-17-14-9-13(8-11-2-1-7-21-10-11)25-19(14)23-18(22-17)16-6-5-15(24-16)12-3-4-12;20-17-14-10-13(9-12-3-1-2-8-21-12)25-19(14)23-18(22-17)16-7-6-15(24-16)11-4-5-11;1-10-8-11(5-7-20-10)17-22-16(19)12-9-14(25-18(12)23-17)15(24)13-4-2-3-6-21-13;1-11-4-2-6-15(21-11)17-22-16(19)14-9-13(24-18(14)23-17)8-12-5-3-7-20-10-12;1-8-4-5-11(24-8)16-21-15(19)9-7-12(25-17(9)22-16)14(23)13-10(18)3-2-6-20-13;1-9-4-5-14(23-9)16-21-15(19)11-7-10(24-17(11)22-16)8-13-12(18)3-2-6-20-13/h1-2,5-7,9-10,12H,3-4,8H2,(H2,20,22,23);1-3,6-8,10-11H,4-5,9H2,(H2,20,22,23);2-9,15,24H,1H3,(H2,19,22,23);2-7,9-10H,8H2,1H3,(H2,19,22,23);2-7,14,23H,1H3,(H2,19,21,22);2-7H,8H2,1H3,(H2,19,21,22)
InChIKeyUBOOYGBPDQJZBV-UHFFFAOYSA-N
XLogP22.97
TPSA506.94 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms148
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002076.47
LogP ≤ 522.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 161046541) is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(-c2nc(N)c3cc(C(O)c4ccccn4)sc3n2)ccn1.Cc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4F)sc3n2)o1.Cc1ccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)o1.Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4)sc3n2)n1.Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccn3)cc12.Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3cccnc3)cc12.
What is the InChIKey of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UBOOYGBPDQJZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N4OS.C18H15N5OS.C18H15N5S.C17H13FN4O2S.C17H13FN4OS/c20-17-14-9-13(8-11-2-1-7-21-10-11)25-19(14)23-18(22-17)16-6-5-15(24-16)12-3-4-12;20-17-14-10-13(9-12-3-1-2-8-21-12)25-19(14)23-18(22-17)16-7-6-15(24-16)11-4-5-11;1-10-8-11(5-7-20-10)17-22-16(19)12-9-14(25-18(12)23-17)15(24)13-4-2-3-6-21-13;1-11-4-2-6-15(21-11)17-22-16(19)14-9-13(24-18(14)23-17)8-12-5-3-7-20-10-12;1-8-4-5-11(24-8)16-21-15(19)9-7-12(25-17(9)22-16)14(23)13-10(18)3-2-6-20-13;1-9-4-5-14(23-9)16-21-15(19)11-7-10(24-17(11)22-16)8-13-12(18)3-2-6-20-13/h1-2,5-7,9-10,12H,3-4,8H2,(H2,20,22,23);1-3,6-8,10-11H,4-5,9H2,(H2,20,22,23);2-9,15,24H,1H3,(H2,19,22,23);2-7,9-10H,8H2,1H3,(H2,19,22,23);2-7,14,23H,1H3,(H2,19,21,22);2-7H,8H2,1H3,(H2,19,21,22).
What are the key properties of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2076.47 g/mol, XLogP of 22.97, 20 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol;[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(5-cyclopropylfuran-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(6-methyl-2-pyridinyl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161046541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).