1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol

C129H176N24O13 — CID 159538956

IUPAC1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(CC3CCCCC3)nc(N3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3cccnc3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3cnc4[nH]ccc4c3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(N3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)nc(CC3CCCC3)c2C)c1
InChIInChI=1S/C28H34N6O2.C26H33N5O2.C25H37N5O3.2C25H36N4O3/c1-29-17-23(35)18-36-24-10-6-7-19(14-24)25-15-26(34(2)22-8-4-3-5-9-22)33-28(32-25)21-13-20-11-12-30-27(20)31-16-21;1-27-17-22(32)18-33-23-12-6-8-19(14-23)24-15-25(31(2)21-10-4-3-5-11-21)30-26(29-24)20-9-7-13-28-16-20;1-26-17-21(31)18-33-22-10-6-7-19(15-22)23-16-24(29(2)20-8-4-3-5-9-20)28-25(27-23)30-11-13-32-14-12-30;1-18-23(14-19-6-3-4-7-19)27-25(29-10-12-31-13-11-29)28-24(18)20-8-5-9-22(15-20)32-17-21(30)16-26-2;1-26-17-22(30)18-32-23-9-5-8-20(15-23)24-16-21(14-19-6-3-2-4-7-19)27-25(28-24)29-10-12-31-13-11-29/h6-7,10-16,22-23,29,35H,3-5,8-9,17-18H2,1-2H3,(H,30,31);6-9,12-16,21-22,27,32H,3-5,10-11,17-18H2,1-2H3;6-7,10,15-16,20-21,26,31H,3-5,8-9,11-14,17-18H2,1-2H3;5,8-9,15,19,21,26,30H,3-4,6-7,10-14,16-17H2,1-2H3;5,8-9,15-16,19,22,26,30H,2-4,6-7,10-14,17-18H2,1H3
InChIKeyMDYKDMWZHZPJQR-UHFFFAOYSA-N
MW2270.98 g/mol
LogP17.10
Rot. Bonds45

About 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 159538956) has the molecular formula C129H176N24O13 and a molecular weight of 2270.98 g/mol. Its IUPAC name is 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID159538956
Molecular FormulaC129H176N24O13
Molecular Weight2270.98 g/mol
Exact Mass2269.38
IUPAC Name1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(CC3CCCCC3)nc(N3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3cccnc3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3cnc4[nH]ccc4c3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(N3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)nc(CC3CCCC3)c2C)c1
InChIInChI=1S/C28H34N6O2.C26H33N5O2.C25H37N5O3.2C25H36N4O3/c1-29-17-23(35)18-36-24-10-6-7-19(14-24)25-15-26(34(2)22-8-4-3-5-9-22)33-28(32-25)21-13-20-11-12-30-27(20)31-16-21;1-27-17-22(32)18-33-23-12-6-8-19(14-23)24-15-25(31(2)21-10-4-3-5-11-21)30-26(29-24)20-9-7-13-28-16-20;1-26-17-21(31)18-33-22-10-6-7-19(15-22)23-16-24(29(2)20-8-4-3-5-9-20)28-25(27-23)30-11-13-32-14-12-30;1-18-23(14-19-6-3-4-7-19)27-25(29-10-12-31-13-11-29)28-24(18)20-8-5-9-22(15-20)32-17-21(30)16-26-2;1-26-17-22(30)18-32-23-9-5-8-20(15-23)24-16-21(14-19-6-3-2-4-7-19)27-25(28-24)29-10-12-31-13-11-29/h6-7,10-16,22-23,29,35H,3-5,8-9,17-18H2,1-2H3,(H,30,31);6-9,12-16,21-22,27,32H,3-5,10-11,17-18H2,1-2H3;6-7,10,15-16,20-21,26,31H,3-5,8-9,11-14,17-18H2,1-2H3;5,8-9,15,19,21,26,30H,3-4,6-7,10-14,16-17H2,1-2H3;5,8-9,15-16,19,22,26,30H,2-4,6-7,10-14,17-18H2,1H3
InChIKeyMDYKDMWZHZPJQR-UHFFFAOYSA-N
XLogP17.10
TPSA425.05 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds45
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002270.98
LogP ≤ 517.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 159538956) is 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2cc(CC3CCCCC3)nc(N3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3cccnc3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3cnc4[nH]ccc4c3)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(N3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N3CCOCC3)nc(CC3CCCC3)c2C)c1.
What is the InChIKey of 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is MDYKDMWZHZPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2.C26H33N5O2.C25H37N5O3.2C25H36N4O3/c1-29-17-23(35)18-36-24-10-6-7-19(14-24)25-15-26(34(2)22-8-4-3-5-9-22)33-28(32-25)21-13-20-11-12-30-27(20)31-16-21;1-27-17-22(32)18-33-23-12-6-8-19(14-23)24-15-25(31(2)21-10-4-3-5-11-21)30-26(29-24)20-9-7-13-28-16-20;1-26-17-21(31)18-33-22-10-6-7-19(15-22)23-16-24(29(2)20-8-4-3-5-9-20)28-25(27-23)30-11-13-32-14-12-30;1-18-23(14-19-6-3-4-7-19)27-25(29-10-12-31-13-11-29)28-24(18)20-8-5-9-22(15-20)32-17-21(30)16-26-2;1-26-17-22(30)18-32-23-9-5-8-20(15-23)24-16-21(14-19-6-3-2-4-7-19)27-25(28-24)29-10-12-31-13-11-29/h6-7,10-16,22-23,29,35H,3-5,8-9,17-18H2,1-2H3,(H,30,31);6-9,12-16,21-22,27,32H,3-5,10-11,17-18H2,1-2H3;6-7,10,15-16,20-21,26,31H,3-5,8-9,11-14,17-18H2,1-2H3;5,8-9,15,19,21,26,30H,3-4,6-7,10-14,16-17H2,1-2H3;5,8-9,15-16,19,22,26,30H,2-4,6-7,10-14,17-18H2,1H3.
What are the key properties of 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 2270.98 g/mol, XLogP of 17.10, 45 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-(cyclopentylmethyl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 159538956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).