4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))

C96H99F3N31O2Pt4- — CID 157088303

IUPAC4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))
SMILESCC(=O)CC(C)O.CC(C)(C)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.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].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C29H31N9.C28H29N9.C22H14F3N9.C12H15N4.C5H10O2.4Pt/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;1-27(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;1-13-11-17(31-30-13)15-7-9-26-20(28-15)34(14-5-3-2-4-6-14)21-27-10-8-16(29-21)18-12-19(33-32-18)22(23,24)25;1-8-10(9-5-6-13-7-14-9)15-16-11(8)12(2,3)4;1-4(6)3-5(2)7;;;;/h8-17H,1-7H3;7-17H,1-6H3;2-12H,1H3;5-7H,1-4H3;4,6H,3H2,1-2H3;;;;/q3*-2;-1;;;3*+2
InChIKeyNVJYHNLCBLKOTA-UHFFFAOYSA-N
MW2556.37 g/mol
LogP17.59
Rot. Bonds18

About 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))

4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)) (PubChem CID 157088303) has the molecular formula C96H99F3N31O2Pt4- and a molecular weight of 2556.37 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)).

Molecular Properties

Compound Name4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))
PubChem CID157088303
Molecular FormulaC96H99F3N31O2Pt4-
Molecular Weight2556.37 g/mol
Exact Mass2554.71
IUPAC Name4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))
SMILESCC(=O)CC(C)O.CC(C)(C)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.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].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C29H31N9.C28H29N9.C22H14F3N9.C12H15N4.C5H10O2.4Pt/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;1-27(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;1-13-11-17(31-30-13)15-7-9-26-20(28-15)34(14-5-3-2-4-6-14)21-27-10-8-16(29-21)18-12-19(33-32-18)22(23,24)25;1-8-10(9-5-6-13-7-14-9)15-16-11(8)12(2,3)4;1-4(6)3-5(2)7;;;;/h8-17H,1-7H3;7-17H,1-6H3;2-12H,1H3;5-7H,1-4H3;4,6H,3H2,1-2H3;;;;/q3*-2;-1;;;3*+2
InChIKeyNVJYHNLCBLKOTA-UHFFFAOYSA-N
XLogP17.59
TPSA416.41 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002556.37
LogP ≤ 517.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))?
The IUPAC name of 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)) (CID 157088303) is 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)).
What is the SMILES notation for 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))?
The canonical SMILES for 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)) is CC(=O)CC(C)O.CC(C)(C)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.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].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))?
The InChIKey is NVJYHNLCBLKOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N9.C28H29N9.C22H14F3N9.C12H15N4.C5H10O2.4Pt/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;1-27(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;1-13-11-17(31-30-13)15-7-9-26-20(28-15)34(14-5-3-2-4-6-14)21-27-10-8-16(29-21)18-12-19(33-32-18)22(23,24)25;1-8-10(9-5-6-13-7-14-9)15-16-11(8)12(2,3)4;1-4(6)3-5(2)7;;;;/h8-17H,1-7H3;7-17H,1-6H3;2-12H,1H3;5-7H,1-4H3;4,6H,3H2,1-2H3;;;;/q3*-2;-1;;;3*+2.
What are the key properties of 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+))?
4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)) has a molecular weight of 2556.37 g/mol, XLogP of 17.59, 18 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine;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;4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;4-hydroxypentan-2-one;4-(5-methylpyrazol-2-id-3-yl)-N-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum;tris(platinum(2+)) is sourced from PubChem (CID 157088303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).