4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine

C52H48N12O3S3 — CID 159518607

IUPAC4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCc1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.c1ccc(-c2nc(N3CCOCC3)c3ccsc3n2)nc1
InChIInChI=1S/C21H18N4OS.C16H16N4OS.C15H14N4OS/c1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17;1-11-10-22-16-13(11)15(20-6-8-21-9-7-20)18-14(19-16)12-4-2-3-5-17-12;1-2-5-16-12(3-1)13-17-14(19-6-8-20-9-7-19)11-4-10-21-15(11)18-13/h1-9,14H,10-13H2;2-5,10H,6-9H2,1H3;1-5,10H,6-9H2
InChIKeyMBNDDWVIDGCOEE-UHFFFAOYSA-N
MW985.24 g/mol
LogP9.75
Rot. Bonds7

About 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine

4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 159518607) has the molecular formula C52H48N12O3S3 and a molecular weight of 985.24 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID159518607
Molecular FormulaC52H48N12O3S3
Molecular Weight985.24 g/mol
Exact Mass984.31
IUPAC Name4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCc1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.c1ccc(-c2nc(N3CCOCC3)c3ccsc3n2)nc1
InChIInChI=1S/C21H18N4OS.C16H16N4OS.C15H14N4OS/c1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17;1-11-10-22-16-13(11)15(20-6-8-21-9-7-20)18-14(19-16)12-4-2-3-5-17-12;1-2-5-16-12(3-1)13-17-14(19-6-8-20-9-7-19)11-4-10-21-15(11)18-13/h1-9,14H,10-13H2;2-5,10H,6-9H2,1H3;1-5,10H,6-9H2
InChIKeyMBNDDWVIDGCOEE-UHFFFAOYSA-N
XLogP9.75
TPSA153.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.24
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 129255881
4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one
CID 149311701
5-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829304
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686
2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 30807164
7-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 56803860
2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146396079
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
4-methyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 139881756

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 159518607) is 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine is Cc1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1.c1ccc(-c2nc(N3CCOCC3)c3ccsc3n2)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is MBNDDWVIDGCOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS.C16H16N4OS.C15H14N4OS/c1-2-6-15(7-3-1)16-14-27-21-18(16)20(25-10-12-26-13-11-25)23-19(24-21)17-8-4-5-9-22-17;1-11-10-22-16-13(11)15(20-6-8-21-9-7-20)18-14(19-16)12-4-2-3-5-17-12;1-2-5-16-12(3-1)13-17-14(19-6-8-20-9-7-19)11-4-10-21-15(11)18-13/h1-9,14H,10-13H2;2-5,10H,6-9H2,1H3;1-5,10H,6-9H2.
What are the key properties of 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine?
4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 985.24 g/mol, XLogP of 9.75, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 159518607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).