1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C92H137N19O9 — CID 159677158

IUPAC1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(C(C)C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N(C)C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NC(C)C)cc(NC3CCCCC3)n2)c1.NCC(O)COc1cccc(-c2nc(N3CCCCC3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C24H36N4O2.2C23H35N5O2.C22H31N5O3/c1-17(2)22-14-23(28(4)19-10-6-5-7-11-19)27-24(26-22)18-9-8-12-21(13-18)30-16-20(29)15-25-3;1-24-15-19(29)16-30-20-12-8-9-17(13-20)23-25-21(27(2)3)14-22(26-23)28(4)18-10-6-5-7-11-18;1-16(2)25-21-13-22(26-18-9-5-4-6-10-18)28-23(27-21)17-8-7-11-20(12-17)30-15-19(29)14-24-3;23-15-18(28)16-30-19-6-4-5-17(13-19)22-24-20(26-7-2-1-3-8-26)14-21(25-22)27-9-11-29-12-10-27/h8-9,12-14,17,19-20,25,29H,5-7,10-11,15-16H2,1-4H3;8-9,12-14,18-19,24,29H,5-7,10-11,15-16H2,1-4H3;7-8,11-13,16,18-19,24,29H,4-6,9-10,14-15H2,1-3H3,(H2,25,26,27,28);4-6,13-14,18,28H,1-3,7-12,15-16,23H2
InChIKeyMUSZXGWBYGWZNZ-UHFFFAOYSA-N
MW1653.23 g/mol
LogP12.27
Rot. Bonds35

About 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 159677158) has the molecular formula C92H137N19O9 and a molecular weight of 1653.23 g/mol. Its IUPAC name is 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID159677158
Molecular FormulaC92H137N19O9
Molecular Weight1653.23 g/mol
Exact Mass1652.08
IUPAC Name1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(C(C)C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N(C)C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NC(C)C)cc(NC3CCCCC3)n2)c1.NCC(O)COc1cccc(-c2nc(N3CCCCC3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C24H36N4O2.2C23H35N5O2.C22H31N5O3/c1-17(2)22-14-23(28(4)19-10-6-5-7-11-19)27-24(26-22)18-9-8-12-21(13-18)30-16-20(29)15-25-3;1-24-15-19(29)16-30-20-12-8-9-17(13-20)23-25-21(27(2)3)14-22(26-23)28(4)18-10-6-5-7-11-18;1-16(2)25-21-13-22(26-18-9-5-4-6-10-18)28-23(27-21)17-8-7-11-20(12-17)30-15-19(29)14-24-3;23-15-18(28)16-30-19-6-4-5-17(13-19)22-24-20(26-7-2-1-3-8-26)14-21(25-22)27-9-11-29-12-10-27/h8-9,12-14,17,19-20,25,29H,5-7,10-11,15-16H2,1-4H3;8-9,12-14,18-19,24,29H,5-7,10-11,15-16H2,1-4H3;7-8,11-13,16,18-19,24,29H,4-6,9-10,14-15H2,1-3H3,(H2,25,26,27,28);4-6,13-14,18,28H,1-3,7-12,15-16,23H2
InChIKeyMUSZXGWBYGWZNZ-UHFFFAOYSA-N
XLogP12.27
TPSA332.56 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001653.23
LogP ≤ 512.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

US10633389, Example 67-1
CID 85472932
US10633389, Example 500-1a
CID 118881208
US10633389, Example 518-1a
CID 118881217
US10633389, Example 578-1a
CID 118881281
US10633389, Example 586-1a
CID 118881288
US10633389, Example 594-1a
CID 118881297
US10633389, Example 596-1a
CID 118881298
US10633389, Example 595-1a
CID 118881299
US10633389, Example 613-1a
CID 118881317
US10633389, Example 7-1
CID 85471500
US10633389, Example 8-1
CID 85471501
US10633389, Example 10-1
CID 85471637

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 159677158) is 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(C(C)C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(N(C)C)cc(N(C)C3CCCCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NC(C)C)cc(NC3CCCCC3)n2)c1.NCC(O)COc1cccc(-c2nc(N3CCCCC3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is MUSZXGWBYGWZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2.2C23H35N5O2.C22H31N5O3/c1-17(2)22-14-23(28(4)19-10-6-5-7-11-19)27-24(26-22)18-9-8-12-21(13-18)30-16-20(29)15-25-3;1-24-15-19(29)16-30-20-12-8-9-17(13-20)23-25-21(27(2)3)14-22(26-23)28(4)18-10-6-5-7-11-18;1-16(2)25-21-13-22(26-18-9-5-4-6-10-18)28-23(27-21)17-8-7-11-20(12-17)30-15-19(29)14-24-3;23-15-18(28)16-30-19-6-4-5-17(13-19)22-24-20(26-7-2-1-3-8-26)14-21(25-22)27-9-11-29-12-10-27/h8-9,12-14,17,19-20,25,29H,5-7,10-11,15-16H2,1-4H3;8-9,12-14,18-19,24,29H,5-7,10-11,15-16H2,1-4H3;7-8,11-13,16,18-19,24,29H,4-6,9-10,14-15H2,1-3H3,(H2,25,26,27,28);4-6,13-14,18,28H,1-3,7-12,15-16,23H2.
What are the key properties of 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 1653.23 g/mol, XLogP of 12.27, 35 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(4-morpholin-4-yl-6-piperidin-1-ylpyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-[4-(cyclohexylamino)-6-(propan-2-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(dimethylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 159677158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).