N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C74H91N15O10S — CID 157098797

About N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 157098797) has the molecular formula C74H91N15O10S and a molecular weight of 1382.70 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]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

• Compound Name: N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• PubChem CID: 157098797
• Molecular Formula: C74H91N15O10S
• Molecular Weight: 1382.70 g/mol
• Exact Mass: 1381.68
• IUPAC Name: N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• SMILES: CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N(C)c3ccc(OC)nc3)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)NC3CCCCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(SC)c(C)c(C3=C(C)CN=C3C)n2)c1
• InChI: InChI=1S/C26H30N6O4.C26H33N5O4.C22H28N4O2S/c1-16-25(17(2)36-31-16)22-12-23(32(4)19-9-10-24(34-5)28-13-19)30-26(29-22)18-7-6-8-21(11-18)35-15-20(33)14-27-3;1-16-24(17(2)35-31-16)22-13-23(26(33)28-19-9-5-4-6-10-19)30-25(29-22)18-8-7-11-21(12-18)34-15-20(32)14-27-3;1-13-10-24-15(3)19(13)20-14(2)22(29-5)26-21(25-20)16-7-6-8-18(9-16)28-12-17(27)11-23-4/h6-13,20,27,33H,14-15H2,1-5H3;7-8,11-13,19-20,27,32H,4-6,9-10,14-15H2,1-3H3,(H,28,33);6-9,17,23,27H,10-12H2,1-5H3
• InChIKey: AFNDDDSLWBQQON-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 320.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1382.70
LogP ≤ 5	10.36
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]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The IUPAC name of N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 157098797) is N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

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]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The canonical SMILES for N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(N(C)c3ccc(OC)nc3)n2)c1.CNCC(O)COc1cccc(-c2nc(C(=O)NC3CCCCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(SC)c(C)c(C3=C(C)CN=C3C)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]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The InChIKey is AFNDDDSLWBQQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4.C26H33N5O4.C22H28N4O2S/c1-16-25(17(2)36-31-16)22-12-23(32(4)19-9-10-24(34-5)28-13-19)30-26(29-22)18-7-6-8-21(11-18)35-15-20(33)14-27-3;1-16-24(17(2)35-31-16)22-13-23(26(33)28-19-9-5-4-6-10-19)30-25(29-22)18-8-7-11-21(12-18)34-15-20(32)14-27-3;1-13-10-24-15(3)19(13)20-14(2)22(29-5)26-21(25-20)16-7-6-8-18(9-16)28-12-17(27)11-23-4/h6-13,20,27,33H,14-15H2,1-5H3;7-8,11-13,19-20,27,32H,4-6,9-10,14-15H2,1-3H3,(H,28,33);6-9,17,23,27H,10-12H2,1-5H3.

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]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 1382.70 g/mol, XLogP of 10.36, 27 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]pyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(6-methoxy-3-pyridinyl)-methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methyl-6-methylsulfanylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 157098797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).