4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine

C97H75N31O7 — CID 160506487

About 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine

4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine (PubChem CID 160506487) has the molecular formula C97H75N31O7 and a molecular weight of 1786.88 g/mol. Its IUPAC name is 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine
• PubChem CID: 160506487
• Molecular Formula: C97H75N31O7
• Molecular Weight: 1786.88 g/mol
• Exact Mass: 1785.65
• IUPAC Name: 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine
• SMILES: Nc1cccc(Nc2nccc(-c3ccc4noc(-c5ccnc(N6CCOCC6)n5)c4c3)n2)c1.Nc1nccc(-c2ccc3noc(-c4cccnc4)c3c2)n1.Nc1nccc(-c2ccc3noc(-c4ccnc(N5CCOCC5)n4)c3c2)n1.Nc1nccc(-c2ccc3noc(-c4ccncn4)c3c2)n1.c1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1
• InChI: InChI=1S/C25H22N8O2.C22H15N5O.C19H17N7O2.C16H11N5O.C15H10N6O/c26-17-2-1-3-18(15-17)29-24-27-8-6-20(30-24)16-4-5-21-19(14-16)23(35-32-21)22-7-9-28-25(31-22)33-10-12-34-13-11-33;1-2-6-17(7-3-1)25-22-24-12-10-19(26-22)15-8-9-20-18(13-15)21(28-27-20)16-5-4-11-23-14-16;20-18-21-5-3-14(23-18)12-1-2-15-13(11-12)17(28-25-15)16-4-6-22-19(24-16)26-7-9-27-10-8-26;17-16-19-7-5-13(20-16)10-3-4-14-12(8-10)15(22-21-14)11-2-1-6-18-9-11;16-15-18-6-4-11(20-15)9-1-2-12-10(7-9)14(22-21-12)13-3-5-17-8-19-13/h1-9,14-15H,10-13,26H2,(H,27,29,30);1-14H,(H,24,25,26);1-6,11H,7-10H2,(H2,20,21,23);1-9H,(H2,17,19,20);1-8H,(H2,16,18,20)
• InChIKey: QSMBOIZDTIMXPR-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 515.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1786.88
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

The IUPAC name of 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine (CID 160506487) is 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine.

What is the SMILES notation for 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

The canonical SMILES for 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine is Nc1cccc(Nc2nccc(-c3ccc4noc(-c5ccnc(N6CCOCC6)n5)c4c3)n2)c1.Nc1nccc(-c2ccc3noc(-c4cccnc4)c3c2)n1.Nc1nccc(-c2ccc3noc(-c4ccnc(N5CCOCC5)n4)c3c2)n1.Nc1nccc(-c2ccc3noc(-c4ccncn4)c3c2)n1.c1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1.

What is the InChIKey of 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

The InChIKey is QSMBOIZDTIMXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2.C22H15N5O.C19H17N7O2.C16H11N5O.C15H10N6O/c26-17-2-1-3-18(15-17)29-24-27-8-6-20(30-24)16-4-5-21-19(14-16)23(35-32-21)22-7-9-28-25(31-22)33-10-12-34-13-11-33;1-2-6-17(7-3-1)25-22-24-12-10-19(26-22)15-8-9-20-18(13-15)21(28-27-20)16-5-4-11-23-14-16;20-18-21-5-3-14(23-18)12-1-2-15-13(11-12)17(28-25-15)16-4-6-22-19(24-16)26-7-9-27-10-8-26;17-16-19-7-5-13(20-16)10-3-4-14-12(8-10)15(22-21-14)11-2-1-6-18-9-11;16-15-18-6-4-11(20-15)9-1-2-12-10(7-9)14(22-21-12)13-3-5-17-8-19-13/h1-9,14-15H,10-13,26H2,(H,27,29,30);1-14H,(H,24,25,26);1-6,11H,7-10H2,(H2,20,21,23);1-9H,(H2,17,19,20);1-8H,(H2,16,18,20).

What are the key properties of 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine has a molecular weight of 1786.88 g/mol, XLogP of 16.41, 16 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine;3-N-[4-[3-(2-morpholin-4-ylpyrimidin-4-yl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]benzene-1,3-diamine;N-phenyl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 160506487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).