2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one

C21H24N4O2S — CID 133474366

IUPAC2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESCCc1nc(NC(Cc2ccccc2)C(=O)N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C21H24N4O2S/c1-2-18-23-19(16-8-13-28-20(16)24-18)22-17(14-15-6-4-3-5-7-15)21(26)25-9-11-27-12-10-25/h3-8,13,17H,2,9-12,14H2,1H3,(H,22,23,24)
InChIKeyNWRTYONWRZYADR-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.14
Rot. Bonds6

About 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one

2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 133474366) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID133474366
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESCCc1nc(NC(Cc2ccccc2)C(=O)N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C21H24N4O2S/c1-2-18-23-19(16-8-13-28-20(16)24-18)22-17(14-15-6-4-3-5-7-15)21(26)25-9-11-27-12-10-25/h3-8,13,17H,2,9-12,14H2,1H3,(H,22,23,24)
InChIKeyNWRTYONWRZYADR-UHFFFAOYSA-N
XLogP3.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one with MolForge

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Related Compounds

(2S)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050114
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide
CID 145402038
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 133474377
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 66832556
ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133404312
4-methyl-N-[1-[16-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 4263217
N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
CID 133404333
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133404351

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one (CID 133474366) is 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one is CCc1nc(NC(Cc2ccccc2)C(=O)N2CCOCC2)c2ccsc2n1.
What is the InChIKey of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is NWRTYONWRZYADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-2-18-23-19(16-8-13-28-20(16)24-18)22-17(14-15-6-4-3-5-7-15)21(26)25-9-11-27-12-10-25/h3-8,13,17H,2,9-12,14H2,1H3,(H,22,23,24).
What are the key properties of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one?
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 396.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 133474366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).