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+)

C29H31N9Pt — CID 140723083

IUPAC4-(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+)
SMILESCc1ccc(N(c2nccc(-c3cc(C(C)(C)C)n[n-]3)n2)c2nccc(-c3cc(C(C)(C)C)n[n-]3)n2)cc1.[Pt+2]
InChIInChI=1S/C29H31N9.Pt/c1-18-8-10-19(11-9-18)38(26-30-14-12-20(32-26)22-16-24(36-34-22)28(2,3)4)27-31-15-13-21(33-27)23-17-25(37-35-23)29(5,6)7;/h8-17H,1-7H3;/q-2;+2
InChIKeyFSOJMJTXKMKNRD-UHFFFAOYSA-N
MW700.71 g/mol
LogP5.68
Rot. Bonds5

About 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+)

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+) (PubChem CID 140723083) has the molecular formula C29H31N9Pt and a molecular weight of 700.71 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-(4-methylphenyl)pyrimidin-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-(4-methylphenyl)pyrimidin-2-amine;platinum(2+)
PubChem CID140723083
Molecular FormulaC29H31N9Pt
Molecular Weight700.71 g/mol
Exact Mass700.24
IUPAC Name4-(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+)
SMILESCc1ccc(N(c2nccc(-c3cc(C(C)(C)C)n[n-]3)n2)c2nccc(-c3cc(C(C)(C)C)n[n-]3)n2)cc1.[Pt+2]
InChIInChI=1S/C29H31N9.Pt/c1-18-8-10-19(11-9-18)38(26-30-14-12-20(32-26)22-16-24(36-34-22)28(2,3)4)27-31-15-13-21(33-27)23-17-25(37-35-23)29(5,6)7;/h8-17H,1-7H3;/q-2;+2
InChIKeyFSOJMJTXKMKNRD-UHFFFAOYSA-N
XLogP5.68
TPSA108.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.71
LogP ≤ 55.68
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-(4-methylphenyl)pyrimidin-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-phenylpyrimidin-2-amine;platinum(2+)
CID 140723049
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
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-[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-N,2-N,4-N,4-N,6-N,6-N-hexakis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 23557767
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
N,N-bis(4-tert-butylphenyl)-4-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]aniline;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 153445599
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
CID 169026666
4-methyl-N-(4-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]aniline
CID 146220866
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

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-(4-methylphenyl)pyrimidin-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-(4-methylphenyl)pyrimidin-2-amine;platinum(2+) (CID 140723083) is 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+).
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-(4-methylphenyl)pyrimidin-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-(4-methylphenyl)pyrimidin-2-amine;platinum(2+) is Cc1ccc(N(c2nccc(-c3cc(C(C)(C)C)n[n-]3)n2)c2nccc(-c3cc(C(C)(C)C)n[n-]3)n2)cc1.[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-(4-methylphenyl)pyrimidin-2-amine;platinum(2+)?
The InChIKey is FSOJMJTXKMKNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N9.Pt/c1-18-8-10-19(11-9-18)38(26-30-14-12-20(32-26)22-16-24(36-34-22)28(2,3)4)27-31-15-13-21(33-27)23-17-25(37-35-23)29(5,6)7;/h8-17H,1-7H3;/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-(4-methylphenyl)pyrimidin-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-(4-methylphenyl)pyrimidin-2-amine;platinum(2+) has a molecular weight of 700.71 g/mol, XLogP of 5.68, 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-(4-methylphenyl)pyrimidin-2-amine;platinum(2+) is sourced from PubChem (CID 140723083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).