6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine

C69H64BrCl3N26O5 — CID 159584168

About 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine

6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine (PubChem CID 159584168) has the molecular formula C69H64BrCl3N26O5 and a molecular weight of 1523.71 g/mol. Its IUPAC name is 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine.

Molecular Properties

• Compound Name: 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine
• PubChem CID: 159584168
• Molecular Formula: C69H64BrCl3N26O5
• Molecular Weight: 1523.71 g/mol
• Exact Mass: 1520.38
• IUPAC Name: 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine
• SMILES: Clc1ncc(Nc2ccccc2)c(Cl)n1.Clc1ncc(Nc2ccccc2)c(Nc2cc(C3CC3)[nH]n2)n1.Nc1cc(C2CC2)[nH]n1.O=c1[nH][nH]c2cc(Nc3ncc(Nc4ccccc4)c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH]cc(Br)c(=O)[nH]1.O=c1[nH]cc(Nc2ccccc2)c(=O)[nH]1
• InChI: InChI=1S/C23H21N9O.C16H15ClN6.C10H7Cl2N3.C10H9N3O2.C6H9N3.C4H3BrN2O2/c33-22-16-9-8-15(10-18(16)30-32-22)26-23-24-12-19(25-14-4-2-1-3-5-14)21(28-23)27-20-11-17(29-31-20)13-6-7-13;17-16-18-9-13(19-11-4-2-1-3-5-11)15(21-16)20-14-8-12(22-23-14)10-6-7-10;11-9-8(6-13-10(12)15-9)14-7-4-2-1-3-5-7;14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7;7-6-3-5(8-9-6)4-1-2-4;5-2-1-6-4(9)7-3(2)8/h1-5,8-13,25H,6-7H2,(H2,30,32,33)(H3,24,26,27,28,29,31);1-5,8-10,19H,6-7H2,(H2,18,20,21,22,23);1-6,14H;1-6,12H,(H2,11,13,14,15);3-4H,1-2H2,(H3,7,8,9);1H,(H2,6,7,8,9)
• InChIKey: MJKBJONMWYPERP-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 453.70 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1523.71
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine?

The IUPAC name of 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine (CID 159584168) is 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine.

What is the SMILES notation for 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine?

The canonical SMILES for 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine is Clc1ncc(Nc2ccccc2)c(Cl)n1.Clc1ncc(Nc2ccccc2)c(Nc2cc(C3CC3)[nH]n2)n1.Nc1cc(C2CC2)[nH]n1.O=c1[nH][nH]c2cc(Nc3ncc(Nc4ccccc4)c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH]cc(Br)c(=O)[nH]1.O=c1[nH]cc(Nc2ccccc2)c(=O)[nH]1.

What is the InChIKey of 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine?

The InChIKey is MJKBJONMWYPERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O.C16H15ClN6.C10H7Cl2N3.C10H9N3O2.C6H9N3.C4H3BrN2O2/c33-22-16-9-8-15(10-18(16)30-32-22)26-23-24-12-19(25-14-4-2-1-3-5-14)21(28-23)27-20-11-17(29-31-20)13-6-7-13;17-16-18-9-13(19-11-4-2-1-3-5-11)15(21-16)20-14-8-12(22-23-14)10-6-7-10;11-9-8(6-13-10(12)15-9)14-7-4-2-1-3-5-7;14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7;7-6-3-5(8-9-6)4-1-2-4;5-2-1-6-4(9)7-3(2)8/h1-5,8-13,25H,6-7H2,(H2,30,32,33)(H3,24,26,27,28,29,31);1-5,8-10,19H,6-7H2,(H2,18,20,21,22,23);1-6,14H;1-6,12H,(H2,11,13,14,15);3-4H,1-2H2,(H3,7,8,9);1H,(H2,6,7,8,9).

What are the key properties of 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine?

6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine has a molecular weight of 1523.71 g/mol, XLogP of 13.72, 17 rotatable bonds, 17 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-anilino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;5-anilino-1H-pyrimidine-2,4-dione;5-bromo-1H-pyrimidine-2,4-dione;2-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-phenylpyrimidine-4,5-diamine;5-cyclopropyl-1H-pyrazol-3-amine;2,4-dichloro-N-phenylpyrimidin-5-amine is sourced from PubChem (CID 159584168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).