2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)

C18H17ClN4Pt — CID 21024864

IUPAC2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)
SMILESCC(C)(C)c1cc(-c2ncccn2)[c-]c(-c2ncccn2)c1.Cl[Pt+]
InChIInChI=1S/C18H17N4.ClH.Pt/c1-18(2,3)15-11-13(16-19-6-4-7-20-16)10-14(12-15)17-21-8-5-9-22-17;;/h4-9,11-12H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyAFFPWCSQQNVDAL-UHFFFAOYSA-M
MW519.89 g/mol
LogP4.39
Rot. Bonds2

About 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)

2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+) (PubChem CID 21024864) has the molecular formula C18H17ClN4Pt and a molecular weight of 519.89 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+).

Molecular Properties

Compound Name2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)
PubChem CID21024864
Molecular FormulaC18H17ClN4Pt
Molecular Weight519.89 g/mol
Exact Mass519.08
IUPAC Name2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)
SMILESCC(C)(C)c1cc(-c2ncccn2)[c-]c(-c2ncccn2)c1.Cl[Pt+]
InChIInChI=1S/C18H17N4.ClH.Pt/c1-18(2,3)15-11-13(16-19-6-4-7-20-16)10-14(12-15)17-21-8-5-9-22-17;;/h4-9,11-12H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyAFFPWCSQQNVDAL-UHFFFAOYSA-M
XLogP4.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.89
LogP ≤ 54.39
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 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)?
The IUPAC name of 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+) (CID 21024864) is 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+).
What is the SMILES notation for 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)?
The canonical SMILES for 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+) is CC(C)(C)c1cc(-c2ncccn2)[c-]c(-c2ncccn2)c1.Cl[Pt+].
What is the InChIKey of 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)?
The InChIKey is AFFPWCSQQNVDAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17N4.ClH.Pt/c1-18(2,3)15-11-13(16-19-6-4-7-20-16)10-14(12-15)17-21-8-5-9-22-17;;/h4-9,11-12H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)?
2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+) has a molecular weight of 519.89 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+) is sourced from PubChem (CID 21024864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).