tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine

C85H94Cl2F4N20O9 — CID 162079202

About tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine

tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine (PubChem CID 162079202) has the molecular formula C85H94Cl2F4N20O9 and a molecular weight of 1686.72 g/mol. Its IUPAC name is tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine
• PubChem CID: 162079202
• Molecular Formula: C85H94Cl2F4N20O9
• Molecular Weight: 1686.72 g/mol
• Exact Mass: 1684.68
• IUPAC Name: tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine
• SMILES: CC(=O)CCl.Cc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)cc1.Cc1ccc(Nc2nc(Cl)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)cc1.Cc1ccc(Nc2nc(N)cc(-c3c(C)nc4ccc(F)cn34)n2)cc1.Cc1cn2cc(F)ccc2n1.Nc1cc(F)ccn1
• InChI: InChI=1S/C29H33FN6O4.C21H27ClN4O4.C19H17FN6.C8H7FN2.C5H5FN2.C3H5ClO/c1-17-9-12-20(13-10-17)32-25-33-21(24-18(2)31-22-14-11-19(30)16-35(22)24)15-23(34-25)36(26(37)39-28(3,4)5)27(38)40-29(6,7)8;1-13-8-10-14(11-9-13)23-17-24-15(22)12-16(25-17)26(18(27)29-20(2,3)4)19(28)30-21(5,6)7;1-11-3-6-14(7-4-11)23-19-24-15(9-16(21)25-19)18-12(2)22-17-8-5-13(20)10-26(17)18;1-6-4-11-5-7(9)2-3-8(11)10-6;6-4-1-2-8-5(7)3-4;1-3(5)2-4/h9-16H,1-8H3,(H,32,33,34);8-12H,1-7H3,(H,23,24,25);3-10H,1-2H3,(H3,21,23,24,25);2-5H,1H3;1-3H,(H2,7,8);2H2,1H3
• InChIKey: ZCCMFGADOJUNGO-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 359.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1686.72
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine?

The IUPAC name of tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine (CID 162079202) is tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine.

What is the SMILES notation for tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine?

The canonical SMILES for tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine is CC(=O)CCl.Cc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)cc1.Cc1ccc(Nc2nc(Cl)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)cc1.Cc1ccc(Nc2nc(N)cc(-c3c(C)nc4ccc(F)cn34)n2)cc1.Cc1cn2cc(F)ccc2n1.Nc1cc(F)ccn1.

What is the InChIKey of tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine?

The InChIKey is ZCCMFGADOJUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O4.C21H27ClN4O4.C19H17FN6.C8H7FN2.C5H5FN2.C3H5ClO/c1-17-9-12-20(13-10-17)32-25-33-21(24-18(2)31-22-14-11-19(30)16-35(22)24)15-23(34-25)36(26(37)39-28(3,4)5)27(38)40-29(6,7)8;1-13-8-10-14(11-9-13)23-17-24-15(22)12-16(25-17)26(18(27)29-20(2,3)4)19(28)30-21(5,6)7;1-11-3-6-14(7-4-11)23-19-24-15(9-16(21)25-19)18-12(2)22-17-8-5-13(20)10-26(17)18;1-6-4-11-5-7(9)2-3-8(11)10-6;6-4-1-2-8-5(7)3-4;1-3(5)2-4/h9-16H,1-8H3,(H,32,33,34);8-12H,1-7H3,(H,23,24,25);3-10H,1-2H3,(H3,21,23,24,25);2-5H,1H3;1-3H,(H2,7,8);2H2,1H3.

What are the key properties of tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine?

tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine has a molecular weight of 1686.72 g/mol, XLogP of 20.10, 11 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-chloro-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylanilino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;1-chloropropan-2-one;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-fluoropyridin-2-amine is sourced from PubChem (CID 162079202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).