[2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)

C32H40N6O2Pt — CID 58401616

IUPAC[2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)
SMILESCNCc1[c-]c(-c2cc(OC)ccn2)c(N(C)C)cc1.CNCc1ccc(N(C)C)[c-]c1-c1cc(CO)ccn1.[Pt+2]
InChIInChI=1S/2C16H20N3O.Pt/c1-17-11-12-5-6-16(19(2)3)14(9-12)15-10-13(20-4)7-8-18-15;1-17-10-13-4-5-14(19(2)3)9-15(13)16-8-12(11-20)6-7-18-16;/h5-8,10,17H,11H2,1-4H3;4-8,17,20H,10-11H2,1-3H3;/q2*-1;+2
InChIKeyAZBARBMXTJALCM-UHFFFAOYSA-N
MW735.79 g/mol
LogP4.17
Rot. Bonds10

About [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)

[2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+) (PubChem CID 58401616) has the molecular formula C32H40N6O2Pt and a molecular weight of 735.79 g/mol. Its IUPAC name is [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+).

Molecular Properties

Compound Name[2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)
PubChem CID58401616
Molecular FormulaC32H40N6O2Pt
Molecular Weight735.79 g/mol
Exact Mass735.29
IUPAC Name[2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)
SMILESCNCc1[c-]c(-c2cc(OC)ccn2)c(N(C)C)cc1.CNCc1ccc(N(C)C)[c-]c1-c1cc(CO)ccn1.[Pt+2]
InChIInChI=1S/2C16H20N3O.Pt/c1-17-11-12-5-6-16(19(2)3)14(9-12)15-10-13(20-4)7-8-18-15;1-17-10-13-4-5-14(19(2)3)9-15(13)16-8-12(11-20)6-7-18-16;/h5-8,10,17H,11H2,1-4H3;4-8,17,20H,10-11H2,1-3H3;/q2*-1;+2
InChIKeyAZBARBMXTJALCM-UHFFFAOYSA-N
XLogP4.17
TPSA85.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500735.79
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)?
The IUPAC name of [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+) (CID 58401616) is [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+).
What is the SMILES notation for [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)?
The canonical SMILES for [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+) is CNCc1[c-]c(-c2cc(OC)ccn2)c(N(C)C)cc1.CNCc1ccc(N(C)C)[c-]c1-c1cc(CO)ccn1.[Pt+2].
What is the InChIKey of [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)?
The InChIKey is AZBARBMXTJALCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H20N3O.Pt/c1-17-11-12-5-6-16(19(2)3)14(9-12)15-10-13(20-4)7-8-18-15;1-17-10-13-4-5-14(19(2)3)9-15(13)16-8-12(11-20)6-7-18-16;/h5-8,10,17H,11H2,1-4H3;4-8,17,20H,10-11H2,1-3H3;/q2*-1;+2.
What are the key properties of [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+)?
[2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+) has a molecular weight of 735.79 g/mol, XLogP of 4.17, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylamino)-2-(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(4-methoxy-2-pyridinyl)-N,N-dimethyl-4-(methylaminomethyl)benzene-3-id-1-amine;platinum(2+) is sourced from PubChem (CID 58401616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).