N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide

C75H93N17O10 — CID 158460313

About N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide

N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide (PubChem CID 158460313) has the molecular formula C75H93N17O10 and a molecular weight of 1392.68 g/mol. Its IUPAC name is N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide
• PubChem CID: 158460313
• Molecular Formula: C75H93N17O10
• Molecular Weight: 1392.68 g/mol
• Exact Mass: 1391.73
• IUPAC Name: N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide
• SMILES: CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N(C)c3cnc(C)nc3)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)N(C)C)cc(C3=C(C)CN=C3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)NC3CCCCC3)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C27H35N5O4.C25H29N7O3.C23H29N5O3/c1-16-24(23-17(2)32-36-18(23)3)30-26(31-25(16)27(34)29-20-10-6-5-7-11-20)19-9-8-12-22(13-19)35-15-21(33)14-28-4;1-15-24(16(2)35-31-15)22-10-23(32(5)19-11-27-17(3)28-12-19)30-25(29-22)18-7-6-8-21(9-18)34-14-20(33)13-26-4;1-14-11-25-15(2)21(14)19-10-20(23(30)28(4)5)27-22(26-19)16-7-6-8-18(9-16)31-13-17(29)12-24-3/h8-9,12-13,20-21,28,33H,5-7,10-11,14-15H2,1-4H3,(H,29,34);6-12,20,26,33H,13-14H2,1-5H3;6-10,17,24,29H,11-13H2,1-5H3
• InChIKey: HFBXYSGVTHJGFA-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 344.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1392.68
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide?

The IUPAC name of N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide (CID 158460313) is N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide.

What is the SMILES notation for N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide?

The canonical SMILES for N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide is CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N(C)c3cnc(C)nc3)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)N(C)C)cc(C3=C(C)CN=C3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)NC3CCCCC3)c(C)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide?

The InChIKey is HFBXYSGVTHJGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4.C25H29N7O3.C23H29N5O3/c1-16-24(23-17(2)32-36-18(23)3)30-26(31-25(16)27(34)29-20-10-6-5-7-11-20)19-9-8-12-22(13-19)35-15-21(33)14-28-4;1-15-24(16(2)35-31-15)22-10-23(32(5)19-11-27-17(3)28-12-19)30-25(29-22)18-7-6-8-21(9-18)34-14-20(33)13-26-4;1-14-11-25-15(2)21(14)19-10-20(23(30)28(4)5)27-22(26-19)16-7-6-8-18(9-16)31-13-17(29)12-24-3/h8-9,12-13,20-21,28,33H,5-7,10-11,14-15H2,1-4H3,(H,29,34);6-12,20,26,33H,13-14H2,1-5H3;6-10,17,24,29H,11-13H2,1-5H3.

What are the key properties of N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide?

N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide has a molecular weight of 1392.68 g/mol, XLogP of 9.04, 26 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[methyl-(2-methylpyrimidin-5-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-2H-pyrrol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N,N-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 158460313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).