2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)

C28H30N4O2Pt — CID 58401495

About 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)

2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+) (PubChem CID 58401495) has the molecular formula C28H30N4O2Pt and a molecular weight of 649.65 g/mol. Its IUPAC name is 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+).

Molecular Properties

• Compound Name: 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)
• PubChem CID: 58401495
• Molecular Formula: C28H30N4O2Pt
• Molecular Weight: 649.65 g/mol
• Exact Mass: 649.20
• IUPAC Name: 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)
• SMILES: CNCc1ccnc(-c2[c-]ccc(CO)c2)c1.COc1cc[c-]c(-c2cc(N(C)C)ccn2)c1.[Pt+2]
• InChI: InChI=1S/2C14H15N2O.Pt/c1-16(2)12-7-8-15-14(10-12)11-5-4-6-13(9-11)17-3;1-15-9-11-5-6-16-14(8-11)13-4-2-3-12(7-13)10-17;/h4,6-10H,1-3H3;2-3,5-8,15,17H,9-10H2,1H3;/q2*-1;+2
• InChIKey: BYVDQABAUXKDTA-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 70.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.65
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)?

The IUPAC name of 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+) (CID 58401495) is 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+).

What is the SMILES notation for 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)?

The canonical SMILES for 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+) is CNCc1ccnc(-c2[c-]ccc(CO)c2)c1.COc1cc[c-]c(-c2cc(N(C)C)ccn2)c1.[Pt+2].

What is the InChIKey of 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)?

The InChIKey is BYVDQABAUXKDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N2O.Pt/c1-16(2)12-7-8-15-14(10-12)11-5-4-6-13(9-11)17-3;1-15-9-11-5-6-16-14(8-11)13-4-2-3-12(7-13)10-17;/h4,6-10H,1-3H3;2-3,5-8,15,17H,9-10H2,1H3;/q2*-1;+2.

What are the key properties of 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+)?

2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+) has a molecular weight of 649.65 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;platinum(2+) is sourced from PubChem (CID 58401495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).