4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine

C67H69Cl10N19O5 — CID 158369701

About 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine

4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine (PubChem CID 158369701) has the molecular formula C67H69Cl10N19O5 and a molecular weight of 1574.95 g/mol. Its IUPAC name is 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine.

Molecular Properties

• Compound Name: 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine
• PubChem CID: 158369701
• Molecular Formula: C67H69Cl10N19O5
• Molecular Weight: 1574.95 g/mol
• Exact Mass: 1569.26
• IUPAC Name: 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine
• SMILES: C1NCC12COC2.CC(C)(O)c1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CC4(COC4)C3)n2)n1.CC(C)(O)c1ccn[nH]1.Clc1cc(Cl)nc(Cl)n1.Clc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1.Clc1ccc(Nc2cc(N3CC4(COC4)C3)nc(Cl)n2)cc1.Nc1ccc(Cl)cc1
• InChI: InChI=1S/C21H23ClN6O2.C15H14Cl2N4O.C10H6Cl3N3.C6H6ClN.C6H10N2O.C5H9NO.C4HCl3N2/c1-20(2,29)16-7-8-28(26-16)19-24-17(23-15-5-3-14(22)4-6-15)9-18(25-19)27-10-21(11-27)12-30-13-21;16-10-1-3-11(4-2-10)18-12-5-13(20-14(17)19-12)21-6-15(7-21)8-22-9-15;11-6-1-3-7(4-2-6)14-9-5-8(12)15-10(13)16-9;7-5-1-3-6(8)4-2-5;1-6(2,9)5-3-4-7-8-5;1-5(2-6-1)3-7-4-5;5-2-1-3(6)9-4(7)8-2/h3-9,29H,10-13H2,1-2H3,(H,23,24,25);1-5H,6-9H2,(H,18,19,20);1-5H,(H,14,15,16);1-4H,8H2;3-4,9H,1-2H3,(H,7,8);6H,1-4H2;1H
• InChIKey: GULPCMLTSOHJCN-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 298.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1574.95
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine?

The IUPAC name of 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine (CID 158369701) is 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine.

What is the SMILES notation for 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine?

The canonical SMILES for 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine is C1NCC12COC2.CC(C)(O)c1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CC4(COC4)C3)n2)n1.CC(C)(O)c1ccn[nH]1.Clc1cc(Cl)nc(Cl)n1.Clc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1.Clc1ccc(Nc2cc(N3CC4(COC4)C3)nc(Cl)n2)cc1.Nc1ccc(Cl)cc1.

What is the InChIKey of 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine?

The InChIKey is GULPCMLTSOHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2.C15H14Cl2N4O.C10H6Cl3N3.C6H6ClN.C6H10N2O.C5H9NO.C4HCl3N2/c1-20(2,29)16-7-8-28(26-16)19-24-17(23-15-5-3-14(22)4-6-15)9-18(25-19)27-10-21(11-27)12-30-13-21;16-10-1-3-11(4-2-10)18-12-5-13(20-14(17)19-12)21-6-15(7-21)8-22-9-15;11-6-1-3-7(4-2-6)14-9-5-8(12)15-10(13)16-9;7-5-1-3-6(8)4-2-5;1-6(2,9)5-3-4-7-8-5;1-5(2-6-1)3-7-4-5;5-2-1-3(6)9-4(7)8-2/h3-9,29H,10-13H2,1-2H3,(H,23,24,25);1-5H,6-9H2,(H,18,19,20);1-5H,(H,14,15,16);1-4H,8H2;3-4,9H,1-2H3,(H,7,8);6H,1-4H2;1H.

What are the key properties of 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine?

4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine has a molecular weight of 1574.95 g/mol, XLogP of 15.27, 11 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine is sourced from PubChem (CID 158369701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).