2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine

C51H55Cl6N19O2 — CID 158013245

About 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine

2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 158013245) has the molecular formula C51H55Cl6N19O2 and a molecular weight of 1178.85 g/mol. Its IUPAC name is 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

• Compound Name: 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine
• PubChem CID: 158013245
• Molecular Formula: C51H55Cl6N19O2
• Molecular Weight: 1178.85 g/mol
• Exact Mass: 1175.29
• IUPAC Name: 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine
• SMILES: CC(N)C(N)=O.Cc1cc(C)n(-c2nc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2nc(Cl)cc(Nc3ccc(Cl)cc3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)cc(NC(C)C(N)=O)n2)n1.Nc1ccc(Cl)cc1
• InChI: InChI=1S/C18H20ClN7O.C15H13Cl2N5.C9H8Cl2N4.C6H6ClN.C3H8N2O/c1-10-8-11(2)26(25-10)18-23-15(21-12(3)17(20)27)9-16(24-18)22-14-6-4-13(19)5-7-14;1-9-7-10(2)22(21-9)15-19-13(17)8-14(20-15)18-12-5-3-11(16)4-6-12;1-5-3-6(2)15(14-5)9-12-7(10)4-8(11)13-9;7-5-1-3-6(8)4-2-5;1-2(4)3(5)6/h4-9,12H,1-3H3,(H2,20,27)(H2,21,22,23,24);3-8H,1-2H3,(H,18,19,20);3-4H,1-2H3;1-4H,8H2;2H,4H2,1H3,(H2,5,6)
• InChIKey: FFDQMEITDTVZBC-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 305.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1178.85
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine?

The IUPAC name of 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine (CID 158013245) is 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine.

What is the SMILES notation for 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine?

The canonical SMILES for 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine is CC(N)C(N)=O.Cc1cc(C)n(-c2nc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2nc(Cl)cc(Nc3ccc(Cl)cc3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)cc(NC(C)C(N)=O)n2)n1.Nc1ccc(Cl)cc1.

What is the InChIKey of 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine?

The InChIKey is FFDQMEITDTVZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O.C15H13Cl2N5.C9H8Cl2N4.C6H6ClN.C3H8N2O/c1-10-8-11(2)26(25-10)18-23-15(21-12(3)17(20)27)9-16(24-18)22-14-6-4-13(19)5-7-14;1-9-7-10(2)22(21-9)15-19-13(17)8-14(20-15)18-12-5-3-11(16)4-6-12;1-5-3-6(2)15(14-5)9-12-7(10)4-8(11)13-9;7-5-1-3-6(8)4-2-5;1-2(4)3(5)6/h4-9,12H,1-3H3,(H2,20,27)(H2,21,22,23,24);3-8H,1-2H3,(H,18,19,20);3-4H,1-2H3;1-4H,8H2;2H,4H2,1H3,(H2,5,6).

What are the key properties of 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine?

2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 1178.85 g/mol, XLogP of 10.62, 11 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopropanamide;4-chloroaniline;2-[[6-(4-chloroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;6-chloro-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 158013245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).