2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride

C139H173Cl4F3N26O20 — CID 158852733

About 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride

2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride (PubChem CID 158852733) has the molecular formula C139H173Cl4F3N26O20 and a molecular weight of 2726.88 g/mol. Its IUPAC name is 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride
• PubChem CID: 158852733
• Molecular Formula: C139H173Cl4F3N26O20
• Molecular Weight: 2726.88 g/mol
• Exact Mass: 2723.20
• IUPAC Name: 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride
• SMILES: COc1ccccc1-c1cc(NC(=O)C2CC(F)CN2C(=O)OC(C)(C)C)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC(F)(F)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC(N)CC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC(NC(=O)OC(C)(C)C)CC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCC(CC(=O)OC(C)(C)C)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCC2N)ncn1.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C24H31N3O4.C23H30N4O4.C21H25FN4O4.3C18H22N4O2.C17H17F2N3O2.4ClH/c1-24(2,3)31-22(28)13-16-8-7-9-17(12-16)23(29)27-21-14-19(25-15-26-21)18-10-5-6-11-20(18)30-4;1-23(2,3)31-22(29)26-16-11-9-15(10-12-16)21(28)27-20-13-18(24-14-25-20)17-7-5-6-8-19(17)30-4;1-21(2,3)30-20(28)26-11-13(22)9-16(26)19(27)25-18-10-15(23-12-24-18)14-7-5-6-8-17(14)29-4;1-24-16-9-5-3-7-13(16)15-10-17(21-11-20-15)22-18(23)12-6-2-4-8-14(12)19;1-24-16-8-3-2-7-14(16)15-10-17(21-11-20-15)22-18(23)12-5-4-6-13(19)9-12;1-24-16-5-3-2-4-14(16)15-10-17(21-11-20-15)22-18(23)12-6-8-13(19)9-7-12;1-24-14-5-3-2-4-12(14)13-8-15(21-10-20-13)22-16(23)11-6-7-17(18,19)9-11;;;;/h5-6,10-11,14-17H,7-9,12-13H2,1-4H3,(H,25,26,27,29);5-8,13-16H,9-12H2,1-4H3,(H,26,29)(H,24,25,27,28);5-8,10,12-13,16H,9,11H2,1-4H3,(H,23,24,25,27);3,5,7,9-12,14H,2,4,6,8,19H2,1H3,(H,20,21,22,23);2-3,7-8,10-13H,4-6,9,19H2,1H3,(H,20,21,22,23);2-5,10-13H,6-9,19H2,1H3,(H,20,21,22,23);2-5,8,10-11H,6-7,9H2,1H3,(H,20,21,22,23);4*1H
• InChIKey: WTWBAKPDPHYATM-UHFFFAOYSA-N
• XLogP: 25.28
• TPSA: 621.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2726.88
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride?

The IUPAC name of 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride (CID 158852733) is 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride.

What is the SMILES notation for 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride?

The canonical SMILES for 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride is COc1ccccc1-c1cc(NC(=O)C2CC(F)CN2C(=O)OC(C)(C)C)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC(F)(F)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC(N)CC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC(NC(=O)OC(C)(C)C)CC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCC(CC(=O)OC(C)(C)C)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCC2N)ncn1.Cl.Cl.Cl.Cl.

What is the InChIKey of 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride?

The InChIKey is WTWBAKPDPHYATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4.C23H30N4O4.C21H25FN4O4.3C18H22N4O2.C17H17F2N3O2.4ClH/c1-24(2,3)31-22(28)13-16-8-7-9-17(12-16)23(29)27-21-14-19(25-15-26-21)18-10-5-6-11-20(18)30-4;1-23(2,3)31-22(29)26-16-11-9-15(10-12-16)21(28)27-20-13-18(24-14-25-20)17-7-5-6-8-19(17)30-4;1-21(2,3)30-20(28)26-11-13(22)9-16(26)19(27)25-18-10-15(23-12-24-18)14-7-5-6-8-17(14)29-4;1-24-16-9-5-3-7-13(16)15-10-17(21-11-20-15)22-18(23)12-6-2-4-8-14(12)19;1-24-16-8-3-2-7-14(16)15-10-17(21-11-20-15)22-18(23)12-5-4-6-13(19)9-12;1-24-16-5-3-2-4-14(16)15-10-17(21-11-20-15)22-18(23)12-6-8-13(19)9-7-12;1-24-14-5-3-2-4-12(14)13-8-15(21-10-20-13)22-16(23)11-6-7-17(18,19)9-11;;;;/h5-6,10-11,14-17H,7-9,12-13H2,1-4H3,(H,25,26,27,29);5-8,13-16H,9-12H2,1-4H3,(H,26,29)(H,24,25,27,28);5-8,10,12-13,16H,9,11H2,1-4H3,(H,23,24,25,27);3,5,7,9-12,14H,2,4,6,8,19H2,1H3,(H,20,21,22,23);2-3,7-8,10-13H,4-6,9,19H2,1H3,(H,20,21,22,23);2-5,10-13H,6-9,19H2,1H3,(H,20,21,22,23);2-5,8,10-11H,6-7,9H2,1H3,(H,20,21,22,23);4*1H.

What are the key properties of 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride?

2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride has a molecular weight of 2726.88 g/mol, XLogP of 25.28, 31 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride is sourced from PubChem (CID 158852733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).