N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide

C164H181N39O15 — CID 160550822

About N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide

N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide (PubChem CID 160550822) has the molecular formula C164H181N39O15 and a molecular weight of 2938.51 g/mol. Its IUPAC name is N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
• PubChem CID: 160550822
• Molecular Formula: C164H181N39O15
• Molecular Weight: 2938.51 g/mol
• Exact Mass: 2936.46
• IUPAC Name: N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
• SMILES: C[C@@H](N)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.C[C@H](N)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H]5CCCN5)CC4)cc3)n2)cc1)C1CCOC1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H]5CCCN5)CC4)cc3)n2)cc1)C1CCOC1.c1cnc(Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)nc1.c1coc(-c2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)c1
• InChI: InChI=1S/2C30H35N7O3.2C28H33N7O3.C24H23N7O.C24H22N4O2/c2*38-28(22-12-19-40-20-22)33-23-5-3-21(4-6-23)26-11-14-32-30(35-26)34-24-7-9-25(10-8-24)36-15-17-37(18-16-36)29(39)27-2-1-13-31-27;2*1-19(29)27(37)35-15-13-34(14-16-35)24-8-6-23(7-9-24)32-28-30-12-10-25(33-28)20-2-4-22(5-3-20)31-26(36)21-11-17-38-18-21;1-11-25-23(26-12-1)28-19-4-2-18(3-5-19)22-10-13-27-24(30-22)29-20-6-8-21(9-7-20)31-14-16-32-17-15-31;1-2-23(30-15-1)19-5-3-18(4-6-19)22-11-12-25-24(27-22)26-20-7-9-21(10-8-20)28-13-16-29-17-14-28/h2*3-11,14,22,27,31H,1-2,12-13,15-20H2,(H,33,38)(H,32,34,35);2*2-10,12,19,21H,11,13-18,29H2,1H3,(H,31,36)(H,30,32,33);1-13H,14-17H2,(H,25,26,28)(H,27,29,30);1-12,15H,13-14,16-17H2,(H,25,26,27)/t2*22?,27-;2*19-,21?;;/m1010../s1
• InChIKey: QYAWAMNWQCFBLL-BASDBMBGSA-N
• XLogP: 21.48
• TPSA: 626.37 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 39
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2938.51
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

The IUPAC name of N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide (CID 160550822) is N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide.

What is the SMILES notation for N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

The canonical SMILES for N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide is C[C@@H](N)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.C[C@H](N)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H]5CCCN5)CC4)cc3)n2)cc1)C1CCOC1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H]5CCCN5)CC4)cc3)n2)cc1)C1CCOC1.c1cnc(Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)nc1.c1coc(-c2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)c1.

What is the InChIKey of N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

The InChIKey is QYAWAMNWQCFBLL-BASDBMBGSA-N. The full InChI is InChI=1S/2C30H35N7O3.2C28H33N7O3.C24H23N7O.C24H22N4O2/c2*38-28(22-12-19-40-20-22)33-23-5-3-21(4-6-23)26-11-14-32-30(35-26)34-24-7-9-25(10-8-24)36-15-17-37(18-16-36)29(39)27-2-1-13-31-27;2*1-19(29)27(37)35-15-13-34(14-16-35)24-8-6-23(7-9-24)32-28-30-12-10-25(33-28)20-2-4-22(5-3-20)31-26(36)21-11-17-38-18-21;1-11-25-23(26-12-1)28-19-4-2-18(3-5-19)22-10-13-27-24(30-22)29-20-6-8-21(9-7-20)31-14-16-32-17-15-31;1-2-23(30-15-1)19-5-3-18(4-6-19)22-11-12-25-24(27-22)26-20-7-9-21(10-8-20)28-13-16-29-17-14-28/h2*3-11,14,22,27,31H,1-2,12-13,15-20H2,(H,33,38)(H,32,34,35);2*2-10,12,19,21H,11,13-18,29H2,1H3,(H,31,36)(H,30,32,33);1-13H,14-17H2,(H,25,26,28)(H,27,29,30);1-12,15H,13-14,16-17H2,(H,25,26,27)/t2*22?,27-;2*19-,21?;;/m1010../s1.

What are the key properties of N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?

N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide has a molecular weight of 2938.51 g/mol, XLogP of 21.48, 39 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 160550822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).