3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane

C47H45N11O2S2 — CID 143976491

IUPAC3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane
SMILESCC.CC(C)Oc1ncccc1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1.N#Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4N4CCOCC4)sc3n2)c1
InChIInChI=1S/C23H20N6OS.C22H19N5OS.C2H6/c24-14-15-3-1-4-16(11-15)21-27-20(25)19-13-18(31-23(19)28-21)12-17-5-2-6-26-22(17)29-7-9-30-10-8-29;1-13(2)28-21-16(7-4-8-25-21)10-17-11-18-19(24)26-20(27-22(18)29-17)15-6-3-5-14(9-15)12-23;1-2/h1-6,11,13H,7-10,12H2,(H2,25,27,28);3-9,11,13H,10H2,1-2H3,(H2,24,26,27);1-2H3
InChIKeyGUOLJAZJXDHSDB-UHFFFAOYSA-N
MW860.09 g/mol
LogP9.25
Rot. Bonds9

About 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane

3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane (PubChem CID 143976491) has the molecular formula C47H45N11O2S2 and a molecular weight of 860.09 g/mol. Its IUPAC name is 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane.

Molecular Properties

Compound Name3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane
PubChem CID143976491
Molecular FormulaC47H45N11O2S2
Molecular Weight860.09 g/mol
Exact Mass859.32
IUPAC Name3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane
SMILESCC.CC(C)Oc1ncccc1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1.N#Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4N4CCOCC4)sc3n2)c1
InChIInChI=1S/C23H20N6OS.C22H19N5OS.C2H6/c24-14-15-3-1-4-16(11-15)21-27-20(25)19-13-18(31-23(19)28-21)12-17-5-2-6-26-22(17)29-7-9-30-10-8-29;1-13(2)28-21-16(7-4-8-25-21)10-17-11-18-19(24)26-20(27-22(18)29-17)15-6-3-5-14(9-15)12-23;1-2/h1-6,11,13H,7-10,12H2,(H2,25,27,28);3-9,11,13H,10H2,1-2H3,(H2,24,26,27);1-2H3
InChIKeyGUOLJAZJXDHSDB-UHFFFAOYSA-N
XLogP9.25
TPSA198.66 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.09
LogP ≤ 59.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane 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

5-(2-Ethoxy-3-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579514
5-(2-Propan-2-yloxy-3-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579682
Dimethyl-[2-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-ethyl]-amine
CID 89587610
2-pyridin-4-yl-4-[(3S)-pyrrolidin-3-yl]oxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596224
4-Piperidin-3-yloxy-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596247
2-pyridin-4-yl-4-[(3R)-pyrrolidin-3-yl]oxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596318
(2S)-1-(3-methylphenyl)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)oxy]propan-2-amine
CID 117666419
3-[4-Amino-6-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45274954
3-[4-Amino-6-[hydroxy-[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45274955
2-(3-Methylphenyl)-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 59278015
3-{4-Amino-6-[hydroxy-(2-methoxy-pyridin-3-yl)-methyl]-thieno[2,3-d]pyrimidin-2-yl}-benzonitrile
CID 45274732
3-[4-Amino-6-(2-methoxy-pyridin-3-ylmethyl)-thieno[2,3-d]pyrimidin-2-yl]-benzonitrile
CID 45274733

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane?
The IUPAC name of 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane (CID 143976491) is 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane.
What is the SMILES notation for 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane?
The canonical SMILES for 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane is CC.CC(C)Oc1ncccc1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1.N#Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4N4CCOCC4)sc3n2)c1.
What is the InChIKey of 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane?
The InChIKey is GUOLJAZJXDHSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS.C22H19N5OS.C2H6/c24-14-15-3-1-4-16(11-15)21-27-20(25)19-13-18(31-23(19)28-21)12-17-5-2-6-26-22(17)29-7-9-30-10-8-29;1-13(2)28-21-16(7-4-8-25-21)10-17-11-18-19(24)26-20(27-22(18)29-17)15-6-3-5-14(9-15)12-23;1-2/h1-6,11,13H,7-10,12H2,(H2,25,27,28);3-9,11,13H,10H2,1-2H3,(H2,24,26,27);1-2H3.
What are the key properties of 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane?
3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane has a molecular weight of 860.09 g/mol, XLogP of 9.25, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-[(2-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile;ethane is sourced from PubChem (CID 143976491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).