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

C17H24N4OS — CID 91769835

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

3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91769835) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
• PubChem CID: 91769835
• Molecular Formula: C17H24N4OS
• Molecular Weight: 332.47 g/mol
• Exact Mass: 332.17
• IUPAC Name: 3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
• SMILES: Cc1nc(C2CC(O)C2)cc(N(C)Cc2csc(C(C)C)n2)n1
• InChI: InChI=1S/C17H24N4OS/c1-10(2)17-20-13(9-23-17)8-21(4)16-7-15(18-11(3)19-16)12-5-14(22)6-12/h7,9-10,12,14,22H,5-6,8H2,1-4H3
• InChIKey: PFUMNWHCJQBZAM-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 62.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.47
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91769835) is 3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

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

The canonical SMILES for 3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N(C)Cc2csc(C(C)C)n2)n1.

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

The InChIKey is PFUMNWHCJQBZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10(2)17-20-13(9-23-17)8-21(4)16-7-15(18-11(3)19-16)12-5-14(22)6-12/h7,9-10,12,14,22H,5-6,8H2,1-4H3.

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

3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 332.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91769835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).