2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide

C61H67Cl2N19O12S4 — CID 172955081

IUPAC2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(C(=O)NC4COC4)cc3n2)c1.NNc1nc(N2CCOCC2)c2sc(C(=O)NC3COC3)cc2n1.O=C(NC1COC1)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.O=C(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C22H24N6O3S.C14H15ClN4O3S.C14H18N6O3S.C11H10ClN3O3S/c1-14-3-2-4-15(9-14)11-23-27-22-25-17-10-18(21(29)24-16-12-31-13-16)32-19(17)20(26-22)28-5-7-30-8-6-28;15-14-17-9-5-10(13(20)16-8-6-22-7-8)23-11(9)12(18-14)19-1-3-21-4-2-19;15-19-14-17-9-5-10(13(21)16-8-6-23-7-8)24-11(9)12(18-14)20-1-3-22-4-2-20;12-11-13-6-5-7(10(16)17)19-8(6)9(14-11)15-1-3-18-4-2-15/h2-4,9-11,16H,5-8,12-13H2,1H3,(H,24,29)(H,25,26,27);5,8H,1-4,6-7H2,(H,16,20);5,8H,1-4,6-7,15H2,(H,16,21)(H,17,18,19);5H,1-4H2,(H,16,17)/b23-11+;;;
InChIKeyAYORMYGPFUCHLT-OZUJVISBSA-N
MW1457.50 g/mol
LogP5.54
Rot. Bonds15

About 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide

2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 172955081) has the molecular formula C61H67Cl2N19O12S4 and a molecular weight of 1457.50 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID172955081
Molecular FormulaC61H67Cl2N19O12S4
Molecular Weight1457.50 g/mol
Exact Mass1455.35
IUPAC Name2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(C(=O)NC4COC4)cc3n2)c1.NNc1nc(N2CCOCC2)c2sc(C(=O)NC3COC3)cc2n1.O=C(NC1COC1)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.O=C(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C22H24N6O3S.C14H15ClN4O3S.C14H18N6O3S.C11H10ClN3O3S/c1-14-3-2-4-15(9-14)11-23-27-22-25-17-10-18(21(29)24-16-12-31-13-16)32-19(17)20(26-22)28-5-7-30-8-6-28;15-14-17-9-5-10(13(20)16-8-6-22-7-8)23-11(9)12(18-14)19-1-3-21-4-2-19;15-19-14-17-9-5-10(13(21)16-8-6-23-7-8)24-11(9)12(18-14)20-1-3-22-4-2-20;12-11-13-6-5-7(10(16)17)19-8(6)9(14-11)15-1-3-18-4-2-15/h2-4,9-11,16H,5-8,12-13H2,1H3,(H,24,29)(H,25,26,27);5,8H,1-4,6-7H2,(H,16,20);5,8H,1-4,6-7,15H2,(H,16,21)(H,17,18,19);5H,1-4H2,(H,16,17)/b23-11+;;;
InChIKeyAYORMYGPFUCHLT-OZUJVISBSA-N
XLogP5.54
TPSA367.73 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001457.50
LogP ≤ 55.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'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-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide (CID 172955081) is 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide is Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(C(=O)NC4COC4)cc3n2)c1.NNc1nc(N2CCOCC2)c2sc(C(=O)NC3COC3)cc2n1.O=C(NC1COC1)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.O=C(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is AYORMYGPFUCHLT-OZUJVISBSA-N. The full InChI is InChI=1S/C22H24N6O3S.C14H15ClN4O3S.C14H18N6O3S.C11H10ClN3O3S/c1-14-3-2-4-15(9-14)11-23-27-22-25-17-10-18(21(29)24-16-12-31-13-16)32-19(17)20(26-22)28-5-7-30-8-6-28;15-14-17-9-5-10(13(20)16-8-6-22-7-8)23-11(9)12(18-14)19-1-3-21-4-2-19;15-19-14-17-9-5-10(13(21)16-8-6-23-7-8)24-11(9)12(18-14)20-1-3-22-4-2-20;12-11-13-6-5-7(10(16)17)19-8(6)9(14-11)15-1-3-18-4-2-15/h2-4,9-11,16H,5-8,12-13H2,1H3,(H,24,29)(H,25,26,27);5,8H,1-4,6-7H2,(H,16,20);5,8H,1-4,6-7,15H2,(H,16,21)(H,17,18,19);5H,1-4H2,(H,16,17)/b23-11+;;;.
What are the key properties of 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 1457.50 g/mol, XLogP of 5.54, 15 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-hydrazinyl-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide;2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172955081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).