5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine

C26H34N8O — CID 146561385

About 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine

5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine (PubChem CID 146561385) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine.

Molecular Properties

• Compound Name: 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine
• PubChem CID: 146561385
• Molecular Formula: C26H34N8O
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.29
• IUPAC Name: 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine
• SMILES: CNc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)cc1N(C)CCNC(C)C
• InChI: InChI=1S/C26H34N8O/c1-17(2)28-9-10-33(4)24-14-25(35-6)22(12-21(24)27-3)32-26-13-20(29-16-30-26)18-7-8-23-19(11-18)15-31-34(23)5/h7-8,11-17,27-28H,9-10H2,1-6H3,(H,29,30,32)
• InChIKey: UCWSXIKKTSTUSY-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 92.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine?

The IUPAC name of 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine (CID 146561385) is 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine.

What is the SMILES notation for 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine?

The canonical SMILES for 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine is CNc1cc(Nc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)cc1N(C)CCNC(C)C.

What is the InChIKey of 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine?

The InChIKey is UCWSXIKKTSTUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-17(2)28-9-10-33(4)24-14-25(35-6)22(12-21(24)27-3)32-26-13-20(29-16-30-26)18-7-8-23-19(11-18)15-31-34(23)5/h7-8,11-17,27-28H,9-10H2,1-6H3,(H,29,30,32).

What are the key properties of 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine?

5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine has a molecular weight of 474.61 g/mol, XLogP of 4.26, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-1-N,2-N-dimethyl-4-N-[6-(1-methylindazol-5-yl)pyrimidin-4-yl]-1-N-[2-(propan-2-ylamino)ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 146561385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).