2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

C102H125N18O2Pt3- — CID 162077524

About 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (PubChem CID 162077524) has the molecular formula C102H125N18O2Pt3- and a molecular weight of 2220.48 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

Molecular Properties

• Compound Name: 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• PubChem CID: 162077524
• Molecular Formula: C102H125N18O2Pt3-
• Molecular Weight: 2220.48 g/mol
• Exact Mass: 2218.92
• IUPAC Name: 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• SMILES: CC(=O)CC(C)O.CC(C)Cc1cnc(-c2cc(C(C)(C)C)n[n-]2)nc1.CC(C)c1cccc2cnc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)cc12.CC(C)c1cccc2cnc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)cc12.CC(C)c1cccc2cnc(-c3cc(C(C)(C)C)n[n-]3)nc12.CC(C)c1cccc2cnc(-c3cc(C(C)(C)C)n[n-]3)nc12.[Pt+2].[Pt+2].[Pt]
• InChI: InChI=1S/2C23H26N3.2C18H21N4.C15H21N4.C5H10O2.3Pt/c2*1-13(2)15-8-6-7-14-12-24-18(11-16(14)15)20-19-17-9-10-23(5,22(17,3)4)21(19)26-25-20;2*1-11(2)13-8-6-7-12-10-19-17(20-16(12)13)14-9-15(22-21-14)18(3,4)5;1-10(2)6-11-8-16-14(17-9-11)12-7-13(19-18-12)15(3,4)5;1-4(6)3-5(2)7;;;/h2*6-8,11-13,17H,9-10H2,1-5H3;2*6-11H,1-5H3;7-10H,6H2,1-5H3;4,6H,3H2,1-2H3;;;/q5*-1;;;2*+2
• InChIKey: DPRMEIKPCAMBCU-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 275.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2220.48
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (CID 162077524) is 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is CC(=O)CC(C)O.CC(C)Cc1cnc(-c2cc(C(C)(C)C)n[n-]2)nc1.CC(C)c1cccc2cnc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)cc12.CC(C)c1cccc2cnc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)cc12.CC(C)c1cccc2cnc(-c3cc(C(C)(C)C)n[n-]3)nc12.CC(C)c1cccc2cnc(-c3cc(C(C)(C)C)n[n-]3)nc12.[Pt+2].[Pt+2].[Pt].

What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The InChIKey is DPRMEIKPCAMBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26N3.2C18H21N4.C15H21N4.C5H10O2.3Pt/c2*1-13(2)15-8-6-7-14-12-24-18(11-16(14)15)20-19-17-9-10-23(5,22(17,3)4)21(19)26-25-20;2*1-11(2)13-8-6-7-12-10-19-17(20-16(12)13)14-9-15(22-21-14)18(3,4)5;1-10(2)6-11-8-16-14(17-9-11)12-7-13(19-18-12)15(3,4)5;1-4(6)3-5(2)7;;;/h2*6-8,11-13,17H,9-10H2,1-5H3;2*6-11H,1-5H3;7-10H,6H2,1-5H3;4,6H,3H2,1-2H3;;;/q5*-1;;;2*+2.

What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) has a molecular weight of 2220.48 g/mol, XLogP of 22.58, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butylpyrazol-1-id-5-yl)-5-(2-methylpropyl)pyrimidine;bis(2-(3-tert-butylpyrazol-1-id-5-yl)-8-propan-2-ylquinazoline);4-hydroxypentan-2-one;platinum;bis(platinum(2+));bis(1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is sourced from PubChem (CID 162077524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).