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-4-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

C79H104N16O7 — CID 157474532

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-4-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
SMILESCNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3ccncc3)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
InChIInChI=1S/C28H34N6O2.C26H33N5O2.C25H37N5O3/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)18-33-23-10-6-7-20(15-23)24-16-25(31(2)21-8-4-3-5-9-21)30-26(29-24)19-11-13-28-14-12-19;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/h6-7,10-16,22-23,29,35H,3-5,8-9,17-18H2,1-2H3,(H,30,31);6-7,10-16,21-22,27,32H,3-5,8-9,17-18H2,1-2H3;6-7,10,15-16,20-21,26,31H,3-5,8-9,11-14,17-18H2,1-2H3
InChIKeyBVKWTKQQWOFTQH-UHFFFAOYSA-N
MW1389.81 g/mol
LogP11.06
Rot. Bonds27

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-4-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-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-4-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 (PubChem CID 157474532) has the molecular formula C79H104N16O7 and a molecular weight of 1389.81 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-4-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.

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-4-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
PubChem CID157474532
Molecular FormulaC79H104N16O7
Molecular Weight1389.81 g/mol
Exact Mass1388.83
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-4-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
SMILESCNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3ccncc3)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
InChIInChI=1S/C28H34N6O2.C26H33N5O2.C25H37N5O3/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)18-33-23-10-6-7-20(15-23)24-16-25(31(2)21-8-4-3-5-9-21)30-26(29-24)19-11-13-28-14-12-19;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/h6-7,10-16,22-23,29,35H,3-5,8-9,17-18H2,1-2H3,(H,30,31);6-7,10-16,21-22,27,32H,3-5,8-9,17-18H2,1-2H3;6-7,10,15-16,20-21,26,31H,3-5,8-9,11-14,17-18H2,1-2H3
InChIKeyBVKWTKQQWOFTQH-UHFFFAOYSA-N
XLogP11.06
TPSA265.57 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.81
LogP ≤ 511.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

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-4-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 with MolForge

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Related Compounds

(2S)-2-[[6-(2-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162643734
(2S)-2-[[6-[2-methoxy-4-[(2-piperidin-1-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162643942
(2S)-2-[[6-[2-methoxy-4-[(2-piperazin-1-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162646903
(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
(2S)-2-[[6-[2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162669485
N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155526544
5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155535315
5-[6-(methylamino)-2-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155543350
5-(2-methyl-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155548702
N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155552682
1-[4-[[5-[6-(methylamino)-2-pyridinyl]-2-(4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]prop-2-en-1-one
CID 155564156
US10633389, Example 67-1
CID 85472932

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-4-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?
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-4-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 (CID 157474532) 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-4-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.
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-4-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?
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-4-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 is CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(-c3ccncc3)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.
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-4-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?
The InChIKey is BVKWTKQQWOFTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2.C26H33N5O2.C25H37N5O3/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)18-33-23-10-6-7-20(15-23)24-16-25(31(2)21-8-4-3-5-9-21)30-26(29-24)19-11-13-28-14-12-19;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/h6-7,10-16,22-23,29,35H,3-5,8-9,17-18H2,1-2H3,(H,30,31);6-7,10-16,21-22,27,32H,3-5,8-9,17-18H2,1-2H3;6-7,10,15-16,20-21,26,31H,3-5,8-9,11-14,17-18H2,1-2H3.
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-4-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-[cyclohexyl(methyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-4-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 has a molecular weight of 1389.81 g/mol, XLogP of 11.06, 27 rotatable bonds, 7 hydrogen bond donors, and 22 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-4-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 is sourced from PubChem (CID 157474532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).