platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine

C21H14N4Pt — CID 158975042

IUPACplatinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine
SMILES[Pt+2].[c-]1c(Cc2[c-]c(-c3ncccn3)ccc2)cccc1-c1cnccn1
InChIInChI=1S/C21H14N4.Pt/c1-4-16(13-18(6-1)20-15-22-10-11-23-20)12-17-5-2-7-19(14-17)21-24-8-3-9-25-21;/h1-11,15H,12H2;/q-2;+2
InChIKeyKCMBFDVNBPXZEP-UHFFFAOYSA-N
MW517.45 g/mol
LogP3.79
Rot. Bonds4

About platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine

platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine (PubChem CID 158975042) has the molecular formula C21H14N4Pt and a molecular weight of 517.45 g/mol. Its IUPAC name is platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine.

Molecular Properties

Compound Nameplatinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine
PubChem CID158975042
Molecular FormulaC21H14N4Pt
Molecular Weight517.45 g/mol
Exact Mass517.09
IUPAC Nameplatinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine
SMILES[Pt+2].[c-]1c(Cc2[c-]c(-c3ncccn3)ccc2)cccc1-c1cnccn1
InChIInChI=1S/C21H14N4.Pt/c1-4-16(13-18(6-1)20-15-22-10-11-23-20)12-17-5-2-7-19(14-17)21-24-8-3-9-25-21;/h1-11,15H,12H2;/q-2;+2
InChIKeyKCMBFDVNBPXZEP-UHFFFAOYSA-N
XLogP3.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
The IUPAC name of platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine (CID 158975042) is platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine.
What is the SMILES notation for platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
The canonical SMILES for platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine is [Pt+2].[c-]1c(Cc2[c-]c(-c3ncccn3)ccc2)cccc1-c1cnccn1.
What is the InChIKey of platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
The InChIKey is KCMBFDVNBPXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4.Pt/c1-4-16(13-18(6-1)20-15-22-10-11-23-20)12-17-5-2-7-19(14-17)21-24-8-3-9-25-21;/h1-11,15H,12H2;/q-2;+2.
What are the key properties of platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine has a molecular weight of 517.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-[3-[(3-pyrazin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine is sourced from PubChem (CID 158975042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).