3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one

C21H24N4O2S — CID 133365697

IUPAC3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one
SMILESCC(C)C(Nc1ncnc2sc(-c3ccccc3)cc12)C(=O)N1CCOCC1
InChIInChI=1S/C21H24N4O2S/c1-14(2)18(21(26)25-8-10-27-11-9-25)24-19-16-12-17(15-6-4-3-5-7-15)28-20(16)23-13-22-19/h3-7,12-14,18H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyXBRLUERCTJFKEU-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.65
Rot. Bonds5

About 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one

3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one (PubChem CID 133365697) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one
PubChem CID133365697
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one
SMILESCC(C)C(Nc1ncnc2sc(-c3ccccc3)cc12)C(=O)N1CCOCC1
InChIInChI=1S/C21H24N4O2S/c1-14(2)18(21(26)25-8-10-27-11-9-25)24-19-16-12-17(15-6-4-3-5-7-15)28-20(16)23-13-22-19/h3-7,12-14,18H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyXBRLUERCTJFKEU-UHFFFAOYSA-N
XLogP3.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one with MolForge

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Related Compounds

[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 71583207
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7831254
1-(azepan-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 46620621
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
CID 96542349
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
CID 42345635
3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 133416689
N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 60505649
2-[(8-methylquinazolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 133388467

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one?
The IUPAC name of 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one (CID 133365697) is 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one.
What is the SMILES notation for 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one?
The canonical SMILES for 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one is CC(C)C(Nc1ncnc2sc(-c3ccccc3)cc12)C(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one?
The InChIKey is XBRLUERCTJFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14(2)18(21(26)25-8-10-27-11-9-25)24-19-16-12-17(15-6-4-3-5-7-15)28-20(16)23-13-22-19/h3-7,12-14,18H,8-11H2,1-2H3,(H,22,23,24).
What are the key properties of 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one?
3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one has a molecular weight of 396.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one is sourced from PubChem (CID 133365697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).