azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride

C35H42Cl8N12O6S3Zr — CID 159107287

About azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride

azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride (PubChem CID 159107287) has the molecular formula C35H42Cl8N12O6S3Zr and a molecular weight of 1197.85 g/mol. Its IUPAC name is azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride.

Molecular Properties

• Compound Name: azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride
• PubChem CID: 159107287
• Molecular Formula: C35H42Cl8N12O6S3Zr
• Molecular Weight: 1197.85 g/mol
• Exact Mass: 1191.91
• IUPAC Name: azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride
• SMILES: CC(C)(N)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.Cl.Cl[Zr](Cl)(Cl)Cl.N.NC(=O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.O=C(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
• InChI: InChI=1S/C13H17ClN4OS.C11H11ClN4O2S.C11H10ClN3O3S.5ClH.H3N.Zr/c1-13(2,15)9-7-8-10(20-9)11(17-12(14)16-8)18-3-5-19-6-4-18;12-11-14-6-5-7(9(13)17)19-8(6)10(15-11)16-1-3-18-4-2-16;12-11-13-6-5-7(10(16)17)19-8(6)9(14-11)15-1-3-18-4-2-15;;;;;;;/h7H,3-6,15H2,1-2H3;5H,1-4H2,(H2,13,17);5H,1-4H2,(H,16,17);5*1H;1H3;/q;;;;;;;;;+4/p-4
• InChIKey: RIJCEKRDZQJHOY-UHFFFAOYSA-J
• XLogP: 8.87
• TPSA: 256.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.85
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride?

The IUPAC name of azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride (CID 159107287) is azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride.

What is the SMILES notation for azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride?

The canonical SMILES for azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride is CC(C)(N)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.Cl.Cl[Zr](Cl)(Cl)Cl.N.NC(=O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.O=C(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.

What is the InChIKey of azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride?

The InChIKey is RIJCEKRDZQJHOY-UHFFFAOYSA-J. The full InChI is InChI=1S/C13H17ClN4OS.C11H11ClN4O2S.C11H10ClN3O3S.5ClH.H3N.Zr/c1-13(2,15)9-7-8-10(20-9)11(17-12(14)16-8)18-3-5-19-6-4-18;12-11-14-6-5-7(9(13)17)19-8(6)10(15-11)16-1-3-18-4-2-16;12-11-13-6-5-7(10(16)17)19-8(6)9(14-11)15-1-3-18-4-2-15;;;;;;;/h7H,3-6,15H2,1-2H3;5H,1-4H2,(H2,13,17);5H,1-4H2,(H,16,17);5*1H;1H3;/q;;;;;;;;;+4/p-4.

What are the key properties of azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride?

azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride has a molecular weight of 1197.85 g/mol, XLogP of 8.87, 6 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide;2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid;2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propan-2-amine;tetrachlorozirconium;hydrochloride is sourced from PubChem (CID 159107287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).