2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine

C113H137F3N31O4+ — CID 161453567

About 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine

2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine (PubChem CID 161453567) has the molecular formula C113H137F3N31O4+ and a molecular weight of 2050.55 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
• PubChem CID: 161453567
• Molecular Formula: C113H137F3N31O4+
• Molecular Weight: 2050.55 g/mol
• Exact Mass: 2049.14
• IUPAC Name: 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
• SMILES: CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2cccc3c2CN(C)C3=O)nc1.CC(C)c1cnc(-c2cccc3c2CNC3=O)nc1.CC(C)c1cnc(-c2ccccc2)nc1.CC(C)c1cnc(-n2cc(C(C)C)nn2)nc1.CC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1.CC(C)c1cnc(CN2CCOCC2)nc1.CC(C)c1cnc([N+]2=CC(C3CC3)N=N2)nc1.Cc1ncc(C(C)C)c(C)n1
• InChI: InChI=1S/C16H17N3O.C15H15N3O.C14H15N3O.C13H14N2.C12H16N5.C12H17N5.C12H19N3O.C10H10F3N5.C9H14N2/c1-10(2)11-7-17-15(18-8-11)12-5-4-6-13-14(12)9-19(3)16(13)20;1-9(2)10-6-16-14(17-7-10)11-4-3-5-12-13(11)8-18-15(12)19;1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;1-10(2)12-8-14-13(15-9-12)11-6-4-3-5-7-11;1-8(2)10-5-13-12(14-6-10)17-7-11(15-16-17)9-3-4-9;1-8(2)10-5-13-12(14-6-10)17-7-11(9(3)4)15-16-17;1-10(2)11-7-13-12(14-8-11)9-15-3-5-16-6-4-15;1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13;1-6(2)9-5-10-8(4)11-7(9)3/h4-8,10H,9H2,1-3H3;3-7,9H,8H2,1-2H3,(H,18,19);3-9H,1-2H3,(H2,15,18);3-10H,1-2H3;5-9,11H,3-4H2,1-2H3;5-9H,1-4H3;7-8,10H,3-6,9H2,1-2H3;3-6H,1-2H3;5-6H,1-4H3/q;;;;+1
• InChIKey: QSGXJADCFWZKOT-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 426.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.55
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?

The IUPAC name of 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine (CID 161453567) is 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine.

What is the SMILES notation for 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?

The canonical SMILES for 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine is CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2cccc3c2CN(C)C3=O)nc1.CC(C)c1cnc(-c2cccc3c2CNC3=O)nc1.CC(C)c1cnc(-c2ccccc2)nc1.CC(C)c1cnc(-n2cc(C(C)C)nn2)nc1.CC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1.CC(C)c1cnc(CN2CCOCC2)nc1.CC(C)c1cnc([N+]2=CC(C3CC3)N=N2)nc1.Cc1ncc(C(C)C)c(C)n1.

What is the InChIKey of 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?

The InChIKey is QSGXJADCFWZKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.C15H15N3O.C14H15N3O.C13H14N2.C12H16N5.C12H17N5.C12H19N3O.C10H10F3N5.C9H14N2/c1-10(2)11-7-17-15(18-8-11)12-5-4-6-13-14(12)9-19(3)16(13)20;1-9(2)10-6-16-14(17-7-10)11-4-3-5-12-13(11)8-18-15(12)19;1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;1-10(2)12-8-14-13(15-9-12)11-6-4-3-5-7-11;1-8(2)10-5-13-12(14-6-10)17-7-11(15-16-17)9-3-4-9;1-8(2)10-5-13-12(14-6-10)17-7-11(9(3)4)15-16-17;1-10(2)11-7-13-12(14-8-11)9-15-3-5-16-6-4-15;1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13;1-6(2)9-5-10-8(4)11-7(9)3/h4-8,10H,9H2,1-3H3;3-7,9H,8H2,1-2H3,(H,18,19);3-9H,1-2H3,(H2,15,18);3-10H,1-2H3;5-9,11H,3-4H2,1-2H3;5-9H,1-4H3;7-8,10H,3-6,9H2,1-2H3;3-6H,1-2H3;5-6H,1-4H3/q;;;;+1;;;;.

What are the key properties of 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine?

2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine has a molecular weight of 2050.55 g/mol, XLogP of 21.62, 21 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine is sourced from PubChem (CID 161453567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).