bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

C112H116F3N40Pt5-3 — CID 157364537

About bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 157364537) has the molecular formula C112H116F3N40Pt5-3 and a molecular weight of 3054.82 g/mol. Its IUPAC name is bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

• Compound Name: bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
• PubChem CID: 157364537
• Molecular Formula: C112H116F3N40Pt5-3
• Molecular Weight: 3054.82 g/mol
• Exact Mass: 3052.85
• IUPAC Name: bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
• SMILES: CC(C)(C)c1cc(-c2ncc3ccccc3n2)[n-]n1.CC(C)(C)c1cc(-c2ncc3ccccc3n2)[n-]n1.CC(C)(C)c1cc(-c2ncccn2)[n-]n1.CC(C)(C)c1cc(-c2ncccn2)[n-]n1.CC12CCC(c3c1n[n-]c3-c1ncccn1)C2(C)C.CC12CCC(c3c1n[n-]c3C1[N-]CCCN1)C2(C)C.Cc1cc(-c2ncccn2)[n-]n1.FC(F)(F)c1cc(-c2ncccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[n-]2)nc1
• InChI: InChI=1S/C15H22N4.C15H17N4.2C15H15N4.2C11H13N4.C8H4F3N4.C8H7N4.2C7H5N4.5Pt/c2*1-14(2)9-5-6-15(14,3)12-10(9)11(18-19-12)13-16-7-4-8-17-13;2*1-15(2,3)13-8-12(18-19-13)14-16-9-10-6-4-5-7-11(10)17-14;2*1-11(2,3)9-7-8(14-15-9)10-12-5-4-6-13-10;9-8(10,11)6-4-5(14-15-6)7-12-2-1-3-13-7;1-6-5-7(12-11-6)8-9-3-2-4-10-8;2*1-3-8-7(9-4-1)6-2-5-10-11-6;;;;;/h9,13,16H,4-8H2,1-3H3;4,7-9H,5-6H2,1-3H3;2*4-9H,1-3H3;2*4-7H,1-3H3;1-4H;2-5H,1H3;2*1-5H;;;;;/q-2;9*-1;;4*+2
• InChIKey: MYBAJDBGIRWDEU-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 528.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3054.82
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The IUPAC name of bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (CID 157364537) is bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

What is the SMILES notation for bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The canonical SMILES for bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is CC(C)(C)c1cc(-c2ncc3ccccc3n2)[n-]n1.CC(C)(C)c1cc(-c2ncc3ccccc3n2)[n-]n1.CC(C)(C)c1cc(-c2ncccn2)[n-]n1.CC(C)(C)c1cc(-c2ncccn2)[n-]n1.CC12CCC(c3c1n[n-]c3-c1ncccn1)C2(C)C.CC12CCC(c3c1n[n-]c3C1[N-]CCCN1)C2(C)C.Cc1cc(-c2ncccn2)[n-]n1.FC(F)(F)c1cc(-c2ncccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[n-]2)nc1.

What is the InChIKey of bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The InChIKey is MYBAJDBGIRWDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.C15H17N4.2C15H15N4.2C11H13N4.C8H4F3N4.C8H7N4.2C7H5N4.5Pt/c2*1-14(2)9-5-6-15(14,3)12-10(9)11(18-19-12)13-16-7-4-8-17-13;2*1-15(2,3)13-8-12(18-19-13)14-16-9-10-6-4-5-7-11(10)17-14;2*1-11(2,3)9-7-8(14-15-9)10-12-5-4-6-13-10;9-8(10,11)6-4-5(14-15-6)7-12-2-1-3-13-7;1-6-5-7(12-11-6)8-9-3-2-4-10-8;2*1-3-8-7(9-4-1)6-2-5-10-11-6;;;;;/h9,13,16H,4-8H2,1-3H3;4,7-9H,5-6H2,1-3H3;2*4-9H,1-3H3;2*4-7H,1-3H3;1-4H;2-5H,1H3;2*1-5H;;;;;/q-2;9*-1;;4*+2.

What are the key properties of bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 3054.82 g/mol, XLogP of 18.03, 10 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-tert-butylpyrazol-1-id-5-yl)quinazoline);2-(5-methylpyrazol-2-id-3-yl)pyrimidine;platinum;tetrakis(platinum(2+));bis(2-pyrazol-2-id-3-ylpyrimidine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;1,10,10-trimethyl-5-pyrimidin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-(2,4,5,6-tetrahydro-1H-pyrimidin-3-id-2-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 157364537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).