4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide

C63H87N15O6S3 — CID 157244557

About 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide

4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 157244557) has the molecular formula C63H87N15O6S3 and a molecular weight of 1246.69 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 157244557
• Molecular Formula: C63H87N15O6S3
• Molecular Weight: 1246.69 g/mol
• Exact Mass: 1245.61
• IUPAC Name: 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: NC(=O)C1CCc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2C1.NC(=O)[C@@H]1CCc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2C1.NC(=O)[C@H]1CCc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2C1
• InChI: InChI=1S/3C21H29N5O2S/c3*22-19(27)13-1-6-17-16(11-13)18-20(23-12-24-21(18)29-17)25-14-2-4-15(5-3-14)26-7-9-28-10-8-26/h3*12-15H,1-11H2,(H2,22,27)(H,23,24,25)/t2*13-,14?,15?;/m10./s1
• InChIKey: AVPHCAYOAYQMGO-FPBHTLFXSA-N
• XLogP: 7.01
• TPSA: 280.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1246.69
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide (CID 157244557) is 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide is NC(=O)C1CCc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2C1.NC(=O)[C@@H]1CCc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2C1.NC(=O)[C@H]1CCc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2C1.

What is the InChIKey of 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is AVPHCAYOAYQMGO-FPBHTLFXSA-N. The full InChI is InChI=1S/3C21H29N5O2S/c3*22-19(27)13-1-6-17-16(11-13)18-20(23-12-24-21(18)29-17)25-14-2-4-15(5-3-14)26-7-9-28-10-8-26/h3*12-15H,1-11H2,(H2,22,27)(H,23,24,25)/t2*13-,14?,15?;/m10./s1.

What are the key properties of 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide?

4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1246.69 g/mol, XLogP of 7.01, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6S)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;(6R)-4-[(4-morpholin-4-ylcyclohexyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 157244557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).