tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline

C104H142Cl4N26O10 — CID 157097812

About tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline

tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline (PubChem CID 157097812) has the molecular formula C104H142Cl4N26O10 and a molecular weight of 2058.26 g/mol. Its IUPAC name is tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline
• PubChem CID: 157097812
• Molecular Formula: C104H142Cl4N26O10
• Molecular Weight: 2058.26 g/mol
• Exact Mass: 2055.02
• IUPAC Name: tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline
• SMILES: C.CC(C)(C)OC(=O)n1ccc2c(NC3CCCCC3)nc(Cl)nc21.COc1cc(N2CCOCC2)ccc1N.COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1.COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2ccn(C(=O)OC(C)(C)C)c2n1.Clc1nc(Cl)c2cc[nH]c2n1.Clc1nc(NC2CCCCC2)c2cc[nH]c2n1.NC1CCCCC1
• InChI: InChI=1S/C28H38N6O4.C23H30N6O2.C17H23ClN4O2.C12H15ClN4.C11H16N2O2.C6H3Cl2N3.C6H13N.CH4/c1-28(2,3)38-27(35)34-13-12-21-24(29-19-8-6-5-7-9-19)31-26(32-25(21)34)30-22-11-10-20(18-23(22)36-4)33-14-16-37-17-15-33;1-30-20-15-17(29-11-13-31-14-12-29)7-8-19(20)26-23-27-21-18(9-10-24-21)22(28-23)25-16-5-3-2-4-6-16;1-17(2,3)24-16(23)22-10-9-12-13(20-15(18)21-14(12)22)19-11-7-5-4-6-8-11;13-12-16-10-9(6-7-14-10)11(17-12)15-8-4-2-1-3-5-8;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13;7-4-3-1-2-9-5(3)11-6(8)10-4;7-6-4-2-1-3-5-6;/h10-13,18-19H,5-9,14-17H2,1-4H3,(H2,29,30,31,32);7-10,15-16H,2-6,11-14H2,1H3,(H3,24,25,26,27,28);9-11H,4-8H2,1-3H3,(H,19,20,21);6-8H,1-5H2,(H2,14,15,16,17);2-3,8H,4-7,12H2,1H3;1-2H,(H,9,10,11);6H,1-5,7H2;1H4
• InChIKey: AFKIMRGJBIYVNK-UHFFFAOYSA-N
• XLogP: 23.10
• TPSA: 428.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.26
LogP ≤ 5	23.10
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline?

The IUPAC name of tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline (CID 157097812) is tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline.

What is the SMILES notation for tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline?

The canonical SMILES for tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline is C.CC(C)(C)OC(=O)n1ccc2c(NC3CCCCC3)nc(Cl)nc21.COc1cc(N2CCOCC2)ccc1N.COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1.COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2ccn(C(=O)OC(C)(C)C)c2n1.Clc1nc(Cl)c2cc[nH]c2n1.Clc1nc(NC2CCCCC2)c2cc[nH]c2n1.NC1CCCCC1.

What is the InChIKey of tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline?

The InChIKey is AFKIMRGJBIYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O4.C23H30N6O2.C17H23ClN4O2.C12H15ClN4.C11H16N2O2.C6H3Cl2N3.C6H13N.CH4/c1-28(2,3)38-27(35)34-13-12-21-24(29-19-8-6-5-7-9-19)31-26(32-25(21)34)30-22-11-10-20(18-23(22)36-4)33-14-16-37-17-15-33;1-30-20-15-17(29-11-13-31-14-12-29)7-8-19(20)26-23-27-21-18(9-10-24-21)22(28-23)25-16-5-3-2-4-6-16;1-17(2,3)24-16(23)22-10-9-12-13(20-15(18)21-14(12)22)19-11-7-5-4-6-8-11;13-12-16-10-9(6-7-14-10)11(17-12)15-8-4-2-1-3-5-8;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13;7-4-3-1-2-9-5(3)11-6(8)10-4;7-6-4-2-1-3-5-6;/h10-13,18-19H,5-9,14-17H2,1-4H3,(H2,29,30,31,32);7-10,15-16H,2-6,11-14H2,1H3,(H3,24,25,26,27,28);9-11H,4-8H2,1-3H3,(H,19,20,21);6-8H,1-5H2,(H2,14,15,16,17);2-3,8H,4-7,12H2,1H3;1-2H,(H,9,10,11);6H,1-5,7H2;1H4.

What are the key properties of tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline?

tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline has a molecular weight of 2058.26 g/mol, XLogP of 23.10, 18 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline is sourced from PubChem (CID 157097812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).