6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine

C54H49Cl3N30O10 — CID 160887440

About 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine

6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine (PubChem CID 160887440) has the molecular formula C54H49Cl3N30O10 and a molecular weight of 1384.54 g/mol. Its IUPAC name is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine.

Molecular Properties

• Compound Name: 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine
• PubChem CID: 160887440
• Molecular Formula: C54H49Cl3N30O10
• Molecular Weight: 1384.54 g/mol
• Exact Mass: 1382.33
• IUPAC Name: 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine
• SMILES: Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1c(Cl)ncnc1Cl.O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(C2CC2)[nH]n1.O=c1[nH][nH]c2cc(Nc3ncnc(Nc4cc(C5CC5)[nH]n4)c3[N+](=O)[O-])ccc12.O=c1[nH][nH]c2cc(Nc3ncnc(Nc4cc(C5CC5)[nH]n4)c3[N+](=O)[O-])ccc12
• InChI: InChI=1S/2C17H15N9O3.C10H9ClN6O2.C6H9N3.C4HCl2N3O2/c2*27-17-10-4-3-9(5-12(10)23-25-17)20-15-14(26(28)29)16(19-7-18-15)21-13-6-11(22-24-13)8-1-2-8;11-9-8(17(18)19)10(13-4-12-9)14-7-3-6(15-16-7)5-1-2-5;7-6-3-5(8-9-6)4-1-2-4;5-3-2(9(10)11)4(6)8-1-7-3/h2*3-8H,1-2H2,(H2,23,25,27)(H3,18,19,20,21,22,24);3-5H,1-2H2,(H2,12,13,14,15,16);3-4H,1-2H2,(H3,7,8,9);1H
• InChIKey: SNVCDJRWMINOME-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 573.87 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1384.54
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine?

The IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine (CID 160887440) is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine.

What is the SMILES notation for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine?

The canonical SMILES for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine is Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1c(Cl)ncnc1Cl.O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(C2CC2)[nH]n1.O=c1[nH][nH]c2cc(Nc3ncnc(Nc4cc(C5CC5)[nH]n4)c3[N+](=O)[O-])ccc12.O=c1[nH][nH]c2cc(Nc3ncnc(Nc4cc(C5CC5)[nH]n4)c3[N+](=O)[O-])ccc12.

What is the InChIKey of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine?

The InChIKey is SNVCDJRWMINOME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N9O3.C10H9ClN6O2.C6H9N3.C4HCl2N3O2/c2*27-17-10-4-3-9(5-12(10)23-25-17)20-15-14(26(28)29)16(19-7-18-15)21-13-6-11(22-24-13)8-1-2-8;11-9-8(17(18)19)10(13-4-12-9)14-7-3-6(15-16-7)5-1-2-5;7-6-3-5(8-9-6)4-1-2-4;5-3-2(9(10)11)4(6)8-1-7-3/h2*3-8H,1-2H2,(H2,23,25,27)(H3,18,19,20,21,22,24);3-5H,1-2H2,(H2,12,13,14,15,16);3-4H,1-2H2,(H3,7,8,9);1H.

What are the key properties of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine?

6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine has a molecular weight of 1384.54 g/mol, XLogP of 10.23, 18 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine is sourced from PubChem (CID 160887440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).