1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea

C20H30N6O4S — CID 58440793

About 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea

1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea (PubChem CID 58440793) has the molecular formula C20H30N6O4S and a molecular weight of 450.57 g/mol. Its IUPAC name is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea.

Molecular Properties

• Compound Name: 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea
• PubChem CID: 58440793
• Molecular Formula: C20H30N6O4S
• Molecular Weight: 450.57 g/mol
• Exact Mass: 450.20
• IUPAC Name: 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea
• SMILES: COc1cc(N2CCc3nc(NC(=O)NCCCOC(C)(C)C)sc3C2)nc(OC)n1
• InChI: InChI=1S/C20H30N6O4S/c1-20(2,3)30-10-6-8-21-17(27)25-19-22-13-7-9-26(12-14(13)31-19)15-11-16(28-4)24-18(23-15)29-5/h11H,6-10,12H2,1-5H3,(H2,21,22,25,27)
• InChIKey: OZBOMHVZRXGVQP-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 110.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.57
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea?

The IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea (CID 58440793) is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea.

What is the SMILES notation for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea?

The canonical SMILES for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea is COc1cc(N2CCc3nc(NC(=O)NCCCOC(C)(C)C)sc3C2)nc(OC)n1.

What is the InChIKey of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea?

The InChIKey is OZBOMHVZRXGVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O4S/c1-20(2,3)30-10-6-8-21-17(27)25-19-22-13-7-9-26(12-14(13)31-19)15-11-16(28-4)24-18(23-15)29-5/h11H,6-10,12H2,1-5H3,(H2,21,22,25,27).

What are the key properties of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea?

1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea has a molecular weight of 450.57 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]urea is sourced from PubChem (CID 58440793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).