3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C19H21N5OS — CID 91784009

About 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91784009) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
• PubChem CID: 91784009
• Molecular Formula: C19H21N5OS
• Molecular Weight: 367.48 g/mol
• Exact Mass: 367.15
• IUPAC Name: 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
• SMILES: Nc1nc(NCCc2nc(-c3ccccc3)cs2)cc(C2CC(O)C2)n1
• InChI: InChI=1S/C19H21N5OS/c20-19-23-15(13-8-14(25)9-13)10-17(24-19)21-7-6-18-22-16(11-26-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,25H,6-9H2,(H3,20,21,23,24)
• InChIKey: UTWAJTJKMVCSFU-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 96.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.48
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?

The IUPAC name of 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91784009) is 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

What is the SMILES notation for 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?

The canonical SMILES for 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NCCc2nc(-c3ccccc3)cs2)cc(C2CC(O)C2)n1.

What is the InChIKey of 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?

The InChIKey is UTWAJTJKMVCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c20-19-23-15(13-8-14(25)9-13)10-17(24-19)21-7-6-18-22-16(11-26-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,25H,6-9H2,(H3,20,21,23,24).

What are the key properties of 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?

3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 367.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91784009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).