N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide

C24H23N5O3S — CID 130337584

IUPACN-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3ccsc23)c1
InChIInChI=1S/C24H23N5O3S/c1-16(30)25-18-3-2-4-20(15-18)32-23-22-21(9-14-33-22)27-24(28-23)26-17-5-7-19(8-6-17)29-10-12-31-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyJPFNZAVHEHPUBM-UHFFFAOYSA-N
MW461.55 g/mol
LogP5.02
Rot. Bonds6

About N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide

N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 130337584) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide
PubChem CID130337584
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3ccsc23)c1
InChIInChI=1S/C24H23N5O3S/c1-16(30)25-18-3-2-4-20(15-18)32-23-22-21(9-14-33-22)27-24(28-23)26-17-5-7-19(8-6-17)29-10-12-31-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyJPFNZAVHEHPUBM-UHFFFAOYSA-N
XLogP5.02
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]hydroxylamine
CID 155068136
N-[3-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 46948470
N-[3-[2-[3-fluoro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 130337604
4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 146216301
N-[3-[2-(4-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 162676477
(E)-N-[3-[2-(4-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]but-2-enamide
CID 162654768
N-[3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 56645136
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 56646144
(E)-N-[3-[2-(3-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]but-2-enamide
CID 162675094
N-[3-[2-[(6-methylsulfanyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;hydrate
CID 157227201
N-[3-[2-[4-(dimethoxyphosphorylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 56646772
4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)thieno[3,2-d]pyrimidine;2,4-dichlorothieno[3,2-d]pyrimidine;iron;4-(4-methylpiperazin-1-yl)aniline;N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)thieno[3,2-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride
CID 158732399

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide (CID 130337584) is N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3ccsc23)c1.
What is the InChIKey of N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide?
The InChIKey is JPFNZAVHEHPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16(30)25-18-3-2-4-20(15-18)32-23-22-21(9-14-33-22)27-24(28-23)26-17-5-7-19(8-6-17)29-10-12-31-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,26,27,28).
What are the key properties of N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide?
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 461.55 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 130337584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).