4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride

C124H132ClF12N25O20 — CID 159103091

About 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride

4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride (PubChem CID 159103091) has the molecular formula C124H132ClF12N25O20 and a molecular weight of 2556.00 g/mol. Its IUPAC name is 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride.

Molecular Properties

• Compound Name: 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride
• PubChem CID: 159103091
• Molecular Formula: C124H132ClF12N25O20
• Molecular Weight: 2556.00 g/mol
• Exact Mass: 2553.96
• IUPAC Name: 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride
• SMILES: COc1ccc(F)cc1-c1cc(NC(=O)C2CCC(N)CC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCCCC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCNC(=O)C2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCOCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CC(F)CN2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCOCC2)ncn1.Cl.O=CC(F)(F)F.O=CC(F)(F)F
• InChI: InChI=1S/C18H21FN4O2.C18H20FN3O2.2C17H17FN4O3.C17H18FN3O3.C17H19N3O3.C16H17FN4O2.2C2HF3O.ClH/c1-25-16-7-4-12(19)8-14(16)15-9-17(22-10-21-15)23-18(24)11-2-5-13(20)6-3-11;1-24-16-8-7-13(19)9-14(16)15-10-17(21-11-20-15)22-18(23)12-5-3-2-4-6-12;1-25-14-3-2-11(18)7-12(14)13-8-15(21-9-20-13)22-17(24)10-4-5-19-16(23)6-10;1-25-14-5-4-10(18)7-12(14)13-8-15(21-9-20-13)22-17(24)11-3-2-6-19-16(11)23;1-23-15-3-2-12(18)8-13(15)14-9-16(20-10-19-14)21-17(22)11-4-6-24-7-5-11;1-22-15-5-3-2-4-13(15)14-10-16(19-11-18-14)20-17(21)12-6-8-23-9-7-12;1-23-14-5-3-2-4-11(14)12-7-15(20-9-19-12)21-16(22)13-6-10(17)8-18-13;2*3-2(4,5)1-6;/h4,7-11,13H,2-3,5-6,20H2,1H3,(H,21,22,23,24);7-12H,2-6H2,1H3,(H,20,21,22,23);2-3,7-10H,4-6H2,1H3,(H,19,23)(H,20,21,22,24);4-5,7-9,11H,2-3,6H2,1H3,(H,19,23)(H,20,21,22,24);2-3,8-11H,4-7H2,1H3,(H,19,20,21,22);2-5,10-12H,6-9H2,1H3,(H,18,19,20,21);2-5,7,9-10,13,18H,6,8H2,1H3,(H,19,20,21,22);2*1H;1H
• InChIKey: HXJVEBCSQLCEMR-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 597.62 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2556.00
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

The IUPAC name of 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride (CID 159103091) is 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride.

What is the SMILES notation for 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

The canonical SMILES for 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride is COc1ccc(F)cc1-c1cc(NC(=O)C2CCC(N)CC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCCCC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2=O)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCNC(=O)C2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCOCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CC(F)CN2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCOCC2)ncn1.Cl.O=CC(F)(F)F.O=CC(F)(F)F.

What is the InChIKey of 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

The InChIKey is HXJVEBCSQLCEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2.C18H20FN3O2.2C17H17FN4O3.C17H18FN3O3.C17H19N3O3.C16H17FN4O2.2C2HF3O.ClH/c1-25-16-7-4-12(19)8-14(16)15-9-17(22-10-21-15)23-18(24)11-2-5-13(20)6-3-11;1-24-16-8-7-13(19)9-14(16)15-10-17(21-11-20-15)22-18(23)12-5-3-2-4-6-12;1-25-14-3-2-11(18)7-12(14)13-8-15(21-9-20-13)22-17(24)10-4-5-19-16(23)6-10;1-25-14-5-4-10(18)7-12(14)13-8-15(21-9-20-13)22-17(24)11-3-2-6-19-16(11)23;1-23-15-3-2-12(18)8-13(15)14-9-16(20-10-19-14)21-17(22)11-4-6-24-7-5-11;1-22-15-5-3-2-4-13(15)14-10-16(19-11-18-14)20-17(21)12-6-8-23-9-7-12;1-23-14-5-3-2-4-11(14)12-7-15(20-9-19-12)21-16(22)13-6-10(17)8-18-13;2*3-2(4,5)1-6;/h4,7-11,13H,2-3,5-6,20H2,1H3,(H,21,22,23,24);7-12H,2-6H2,1H3,(H,20,21,22,23);2-3,7-10H,4-6H2,1H3,(H,19,23)(H,20,21,22,24);4-5,7-9,11H,2-3,6H2,1H3,(H,19,23)(H,20,21,22,24);2-3,8-11H,4-7H2,1H3,(H,19,20,21,22);2-5,10-12H,6-9H2,1H3,(H,18,19,20,21);2-5,7,9-10,13,18H,6,8H2,1H3,(H,19,20,21,22);2*1H;1H.

What are the key properties of 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride has a molecular weight of 2556.00 g/mol, XLogP of 18.95, 28 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride is sourced from PubChem (CID 159103091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).