2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine

C58H55Cl2N19O8S4 — CID 172955721

IUPAC2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(-c4cnco4)cc3n2)c1.Clc1nc(N2CCOCC2)c2sc(-c3cnco3)cc2n1.NNc1nc(N2CCOCC2)c2sc(-c3cnco3)cc2n1.O=Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H20N6O2S.C13H11ClN4O2S.C13H14N6O2S.C11H10ClN3O2S/c1-14-3-2-4-15(9-14)11-23-26-21-24-16-10-18(17-12-22-13-29-17)30-19(16)20(25-21)27-5-7-28-8-6-27;14-13-16-8-5-10(9-6-15-7-20-9)21-11(8)12(17-13)18-1-3-19-4-2-18;14-18-13-16-8-5-10(9-6-15-7-21-9)22-11(8)12(17-13)19-1-3-20-4-2-19;12-11-13-8-5-7(6-16)18-9(8)10(14-11)15-1-3-17-4-2-15/h2-4,9-13H,5-8H2,1H3,(H,24,25,26);5-7H,1-4H2;5-7H,1-4,14H2,(H,16,17,18);5-6H,1-4H2/b23-11+;;;
InChIKeyZIPQRGZPVXXOII-OZUJVISBSA-N
MW1345.38 g/mol
LogP10.24
Rot. Bonds12

About 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine

2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine (PubChem CID 172955721) has the molecular formula C58H55Cl2N19O8S4 and a molecular weight of 1345.38 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
PubChem CID172955721
Molecular FormulaC58H55Cl2N19O8S4
Molecular Weight1345.38 g/mol
Exact Mass1343.27
IUPAC Name2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(-c4cnco4)cc3n2)c1.Clc1nc(N2CCOCC2)c2sc(-c3cnco3)cc2n1.NNc1nc(N2CCOCC2)c2sc(-c3cnco3)cc2n1.O=Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H20N6O2S.C13H11ClN4O2S.C13H14N6O2S.C11H10ClN3O2S/c1-14-3-2-4-15(9-14)11-23-26-21-24-16-10-18(17-12-22-13-29-17)30-19(16)20(25-21)27-5-7-28-8-6-27;14-13-16-8-5-10(9-6-15-7-20-9)21-11(8)12(17-13)18-1-3-19-4-2-18;14-18-13-16-8-5-10(9-6-15-7-21-9)22-11(8)12(17-13)19-1-3-20-4-2-19;12-11-13-8-5-7(6-16)18-9(8)10(14-11)15-1-3-17-4-2-15/h2-4,9-13H,5-8H2,1H3,(H,24,25,26);5-7H,1-4H2;5-7H,1-4,14H2,(H,16,17,18);5-6H,1-4H2/b23-11+;;;
InChIKeyZIPQRGZPVXXOII-OZUJVISBSA-N
XLogP10.24
TPSA310.60 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.38
LogP ≤ 510.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine (CID 172955721) is 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine is Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(-c4cnco4)cc3n2)c1.Clc1nc(N2CCOCC2)c2sc(-c3cnco3)cc2n1.NNc1nc(N2CCOCC2)c2sc(-c3cnco3)cc2n1.O=Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The InChIKey is ZIPQRGZPVXXOII-OZUJVISBSA-N. The full InChI is InChI=1S/C21H20N6O2S.C13H11ClN4O2S.C13H14N6O2S.C11H10ClN3O2S/c1-14-3-2-4-15(9-14)11-23-26-21-24-16-10-18(17-12-22-13-29-17)30-19(16)20(25-21)27-5-7-28-8-6-27;14-13-16-8-5-10(9-6-15-7-20-9)21-11(8)12(17-13)18-1-3-19-4-2-18;14-18-13-16-8-5-10(9-6-15-7-21-9)22-11(8)12(17-13)19-1-3-20-4-2-19;12-11-13-8-5-7(6-16)18-9(8)10(14-11)15-1-3-17-4-2-15/h2-4,9-13H,5-8H2,1H3,(H,24,25,26);5-7H,1-4H2;5-7H,1-4,14H2,(H,16,17,18);5-6H,1-4H2/b23-11+;;;.
What are the key properties of 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine has a molecular weight of 1345.38 g/mol, XLogP of 10.24, 12 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde;4-[2-chloro-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-amine;[4-morpholin-4-yl-6-(1,3-oxazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 172955721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).