5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole

C34H57ClN6O2S — CID 172949482

About 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole

5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole (PubChem CID 172949482) has the molecular formula C34H57ClN6O2S and a molecular weight of 649.39 g/mol. Its IUPAC name is 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole
• PubChem CID: 172949482
• Molecular Formula: C34H57ClN6O2S
• Molecular Weight: 649.39 g/mol
• Exact Mass: 648.40
• IUPAC Name: 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole
• SMILES: CC(C)Cc1ccccn1.CC(C)Cc1cscn1.CC(C)c1ncc(Cl)cn1.CCO/N=C\C(C)C.CON=CC(C)C
• InChI: InChI=1S/C9H13N.C7H9ClN2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-5(2)7-9-3-6(8)4-10-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3/h3-6,8H,7H2,1-2H3;3-5H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3/b;;;7-5-
• InChIKey: DHMKRCNIFCZYGD-QGOTZKSASA-N
• XLogP: 9.81
• TPSA: 94.74 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.39
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole?

The IUPAC name of 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole (CID 172949482) is 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole.

What is the SMILES notation for 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole?

The canonical SMILES for 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1ccccn1.CC(C)Cc1cscn1.CC(C)c1ncc(Cl)cn1.CCO/N=C\C(C)C.CON=CC(C)C.

What is the InChIKey of 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole?

The InChIKey is DHMKRCNIFCZYGD-QGOTZKSASA-N. The full InChI is InChI=1S/C9H13N.C7H9ClN2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-5(2)7-9-3-6(8)4-10-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3/h3-6,8H,7H2,1-2H3;3-5H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3/b;;;7-5-;.

What are the key properties of 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole?

5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole has a molecular weight of 649.39 g/mol, XLogP of 9.81, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 172949482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).