3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine

C51H39ClF6N24O4 — CID 158396311

About 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine (PubChem CID 158396311) has the molecular formula C51H39ClF6N24O4 and a molecular weight of 1201.48 g/mol. Its IUPAC name is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine.

Molecular Properties

• Compound Name: 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine
• PubChem CID: 158396311
• Molecular Formula: C51H39ClF6N24O4
• Molecular Weight: 1201.48 g/mol
• Exact Mass: 1200.32
• IUPAC Name: 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine
• SMILES: C[C@@H](N)c1ncc(F)cn1.C[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1N)c1ncc(F)cn1.C[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
• InChI: InChI=1S/C17H12F2N8O2.C17H14F2N8.C11H5ClFN5O2.C6H8FN3/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14;1-9(15-22-4-11(19)5-23-15)25-16-12(20)6-24-17(26-16)13-7-21-14-3-2-10(18)8-27(13)14;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(8)6-9-2-5(7)3-10-6/h2-9H,1H3,(H,23,24,25);2-9H,20H2,1H3,(H,24,25,26);1-5H;2-4H,8H2,1H3/t2*9-;;4-/m11.1/s1
• InChIKey: GXOVSBYLRWJXBT-ZXGGSKINSA-N
• XLogP: 8.68
• TPSA: 368.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.48
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

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 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine?

The IUPAC name of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine (CID 158396311) is 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine.

What is the SMILES notation for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine?

The canonical SMILES for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine is C[C@@H](N)c1ncc(F)cn1.C[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1N)c1ncc(F)cn1.C[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.

What is the InChIKey of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine?

The InChIKey is GXOVSBYLRWJXBT-ZXGGSKINSA-N. The full InChI is InChI=1S/C17H12F2N8O2.C17H14F2N8.C11H5ClFN5O2.C6H8FN3/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14;1-9(15-22-4-11(19)5-23-15)25-16-12(20)6-24-17(26-16)13-7-21-14-3-2-10(18)8-27(13)14;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9;1-4(8)6-9-2-5(7)3-10-6/h2-9H,1H3,(H,23,24,25);2-9H,20H2,1H3,(H,24,25,26);1-5H;2-4H,8H2,1H3/t2*9-;;4-/m11.1/s1.

What are the key properties of 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine?

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine has a molecular weight of 1201.48 g/mol, XLogP of 8.68, 12 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine is sourced from PubChem (CID 158396311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).