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+)

C28H29N9Pt — CID 140723049

IUPAC4-(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+)
SMILESCC(C)(C)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.[Pt+2]
InChIInChI=1S/C28H29N9.Pt/c1-27(2,3)23-16-21(33-35-23)19-12-14-29-25(31-19)37(18-10-8-7-9-11-18)26-30-15-13-20(32-26)22-17-24(36-34-22)28(4,5)6;/h7-17H,1-6H3;/q-2;+2
InChIKeyZMLGYULAQBRHNU-UHFFFAOYSA-N
MW686.68 g/mol
LogP5.37
Rot. Bonds5

About 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+)

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+) (PubChem CID 140723049) has the molecular formula C28H29N9Pt and a molecular weight of 686.68 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name4-(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+)
PubChem CID140723049
Molecular FormulaC28H29N9Pt
Molecular Weight686.68 g/mol
Exact Mass686.22
IUPAC Name4-(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+)
SMILESCC(C)(C)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.[Pt+2]
InChIInChI=1S/C28H29N9.Pt/c1-27(2,3)23-16-21(33-35-23)19-12-14-29-25(31-19)37(18-10-8-7-9-11-18)26-30-15-13-20(32-26)22-17-24(36-34-22)28(4,5)6;/h7-17H,1-6H3;/q-2;+2
InChIKeyZMLGYULAQBRHNU-UHFFFAOYSA-N
XLogP5.37
TPSA108.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.68
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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+) with MolForge

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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
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
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
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
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
CID 169026666
bis(methyl(diphenyl)phosphanium);osmium(2+);N-phenyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyridin-2-amine
CID 140853773
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
N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235716
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;iridium
CID 58814056
4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)
CID 156661508
4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine
CID 139402169

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is ZMLGYULAQBRHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9.Pt/c1-27(2,3)23-16-21(33-35-23)19-12-14-29-25(31-19)37(18-10-8-7-9-11-18)26-30-15-13-20(32-26)22-17-24(36-34-22)28(4,5)6;/h7-17H,1-6H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 686.68 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 140723049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).