4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine

C23H23N5O3S2 — CID 146619869

IUPAC4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine
SMILESO=S(O)NCc1ccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C23H23N5O3S2/c29-33(30)25-13-16-1-3-17(4-2-16)20-15-32-21-14-24-23(27-22(20)21)26-18-5-7-19(8-6-18)28-9-11-31-12-10-28/h1-8,14-15,25H,9-13H2,(H,29,30)(H,24,26,27)
InChIKeyLOGDKLQOVJKONO-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.16
Rot. Bonds7

About 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine

4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine (PubChem CID 146619869) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine
PubChem CID146619869
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC Name4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine
SMILESO=S(O)NCc1ccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C23H23N5O3S2/c29-33(30)25-13-16-1-3-17(4-2-16)20-15-32-21-14-24-23(27-22(20)21)26-18-5-7-19(8-6-18)28-9-11-31-12-10-28/h1-8,14-15,25H,9-13H2,(H,29,30)(H,24,26,27)
InChIKeyLOGDKLQOVJKONO-UHFFFAOYSA-N
XLogP4.16
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine with MolForge

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Related Compounds

7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine
CID 52931837
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
N-(cyanomethyl)-4-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]benzamide
CID 58228974
N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466261
7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-2-amine
CID 164620981
N-tert-butyl-2-cyano-N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]-5-[2-[4-(morpholin-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-7-yl]cyclohexa-1,3-dien-1-yl]acetamide
CID 154960566
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
N-[3-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]-2-methylpropane-2-sulfonamide
CID 149441219
1-ethyl-3-[2-methoxy-4-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]phenyl]urea
CID 58228944
4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 144797225
N-[3-[6-cyano-2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]acetamide
CID 140788087
3-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid
CID 175696484

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine?
The IUPAC name of 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine (CID 146619869) is 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine.
What is the SMILES notation for 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine?
The canonical SMILES for 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine is O=S(O)NCc1ccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1.
What is the InChIKey of 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine?
The InChIKey is LOGDKLQOVJKONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c29-33(30)25-13-16-1-3-17(4-2-16)20-15-32-21-14-24-23(27-22(20)21)26-18-5-7-19(8-6-18)28-9-11-31-12-10-28/h1-8,14-15,25H,9-13H2,(H,29,30)(H,24,26,27).
What are the key properties of 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine?
4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine has a molecular weight of 481.60 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine is sourced from PubChem (CID 146619869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).