4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine

C74H76Cl7N23O10 — CID 160911302

About 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine

4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine (PubChem CID 160911302) has the molecular formula C74H76Cl7N23O10 and a molecular weight of 1695.74 g/mol. Its IUPAC name is 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine.

Molecular Properties

• Compound Name: 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine
• PubChem CID: 160911302
• Molecular Formula: C74H76Cl7N23O10
• Molecular Weight: 1695.74 g/mol
• Exact Mass: 1691.40
• IUPAC Name: 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine
• SMILES: C1COCCN1.CCOC(=O)c1ccn(-c2nc(Cl)cc(Cl)n2)n1.CCOC(=O)c1ccn(-c2nc(Cl)cc(Nc3ccc(Cl)cc3)n2)n1.CCOC(=O)c1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1.Nc1ccc(Cl)cc1.OCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1
• InChI: InChI=1S/C20H21ClN6O3.C18H19ClN6O2.C16H13Cl2N5O2.C10H8Cl2N4O2.C6H6ClN.C4H9NO/c1-2-30-19(28)16-7-8-27(25-16)20-23-17(22-15-5-3-14(21)4-6-15)13-18(24-20)26-9-11-29-12-10-26;19-13-1-3-14(4-2-13)20-16-11-17(24-7-9-27-10-8-24)22-18(21-16)25-6-5-15(12-26)23-25;1-2-25-15(24)12-7-8-23(22-12)16-20-13(18)9-14(21-16)19-11-5-3-10(17)4-6-11;1-2-18-9(17)6-3-4-16(15-6)10-13-7(11)5-8(12)14-10;7-5-1-3-6(8)4-2-5;1-3-6-4-2-5-1/h3-8,13H,2,9-12H2,1H3,(H,22,23,24);1-6,11,26H,7-10,12H2,(H,20,21,22);3-9H,2H2,1H3,(H,19,20,21);3-5H,2H2,1H3;1-4H,8H2;5H,1-4H2
• InChIKey: SQUYJTMWONDXGY-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 381.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1695.74
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine?

The IUPAC name of 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine (CID 160911302) is 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine.

What is the SMILES notation for 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine?

The canonical SMILES for 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine is C1COCCN1.CCOC(=O)c1ccn(-c2nc(Cl)cc(Cl)n2)n1.CCOC(=O)c1ccn(-c2nc(Cl)cc(Nc3ccc(Cl)cc3)n2)n1.CCOC(=O)c1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1.Nc1ccc(Cl)cc1.OCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1.

What is the InChIKey of 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine?

The InChIKey is SQUYJTMWONDXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3.C18H19ClN6O2.C16H13Cl2N5O2.C10H8Cl2N4O2.C6H6ClN.C4H9NO/c1-2-30-19(28)16-7-8-27(25-16)20-23-17(22-15-5-3-14(21)4-6-15)13-18(24-20)26-9-11-29-12-10-26;19-13-1-3-14(4-2-13)20-16-11-17(24-7-9-27-10-8-24)22-18(21-16)25-6-5-15(12-26)23-25;1-2-25-15(24)12-7-8-23(22-12)16-20-13(18)9-14(21-16)19-11-5-3-10(17)4-6-11;1-2-18-9(17)6-3-4-16(15-6)10-13-7(11)5-8(12)14-10;7-5-1-3-6(8)4-2-5;1-3-6-4-2-5-1/h3-8,13H,2,9-12H2,1H3,(H,22,23,24);1-6,11,26H,7-10,12H2,(H,20,21,22);3-9H,2H2,1H3,(H,19,20,21);3-5H,2H2,1H3;1-4H,8H2;5H,1-4H2.

What are the key properties of 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine?

4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine has a molecular weight of 1695.74 g/mol, XLogP of 13.02, 19 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine is sourced from PubChem (CID 160911302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).