bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)

C24H30N8Pt — CID 140723061

IUPACbis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
SMILESCc1nccc(-c2cc(C(C)(C)C)n[n-]2)n1.Cc1nccc(-c2cc(C(C)(C)C)n[n-]2)n1.[Pt+2]
InChIInChI=1S/2C12H15N4.Pt/c2*1-8-13-6-5-9(14-8)10-7-11(16-15-10)12(2,3)4;/h2*5-7H,1-4H3;/q2*-1;+2
InChIKeyDDKFYAGUAPBJKV-UHFFFAOYSA-N
MW625.64 g/mol
LogP4.20
Rot. Bonds2

About bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)

bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+) (PubChem CID 140723061) has the molecular formula C24H30N8Pt and a molecular weight of 625.64 g/mol. Its IUPAC name is bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+).

Molecular Properties

Compound Namebis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
PubChem CID140723061
Molecular FormulaC24H30N8Pt
Molecular Weight625.64 g/mol
Exact Mass625.22
IUPAC Namebis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
SMILESCc1nccc(-c2cc(C(C)(C)C)n[n-]2)n1.Cc1nccc(-c2cc(C(C)(C)C)n[n-]2)n1.[Pt+2]
InChIInChI=1S/2C12H15N4.Pt/c2*1-8-13-6-5-9(14-8)10-7-11(16-15-10)12(2,3)4;/h2*5-7H,1-4H3;/q2*-1;+2
InChIKeyDDKFYAGUAPBJKV-UHFFFAOYSA-N
XLogP4.20
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.64
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-(4-methylphenyl)pyrimidin-2-amine;platinum(2+)
CID 140723083
4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;platinum(2+)
CID 140723049
2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))
CID 58756122
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
CID 140723069
6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528413
N-[4-(3-fluoropyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-amine;platinum(2+)
CID 140723080
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
CID 169026666
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)pyridine;carbazol-9-ide;platinum(2+)
CID 140804358
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
4-(2-fluoro-4-methylphenyl)-2-methylpyrimidine
CID 177157119
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;iridium
CID 58814056

Frequently Asked Questions

What is the IUPAC name of bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)?
The IUPAC name of bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+) (CID 140723061) is bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+).
What is the SMILES notation for bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)?
The canonical SMILES for bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+) is Cc1nccc(-c2cc(C(C)(C)C)n[n-]2)n1.Cc1nccc(-c2cc(C(C)(C)C)n[n-]2)n1.[Pt+2].
What is the InChIKey of bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)?
The InChIKey is DDKFYAGUAPBJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N4.Pt/c2*1-8-13-6-5-9(14-8)10-7-11(16-15-10)12(2,3)4;/h2*5-7H,1-4H3;/q2*-1;+2.
What are the key properties of bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)?
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+) has a molecular weight of 625.64 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+) is sourced from PubChem (CID 140723061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).