(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole

C101H117N23O10S — CID 159814170

IUPAC(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
SMILESCC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2.COc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.COc1ccncc1-c1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2
InChIInChI=1S/C22H21N5O2.C20H25N5O3S.C20H25N5O.C20H24N4O2.C19H22N4O2/c1-28-20-4-5-23-13-18(20)15-2-3-16-12-24-22(17(16)10-15)19-11-21(26-14-25-19)27-6-8-29-9-7-27;1-14(2)28-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)24-6-8-25(9-7-24)29(3,26)27;1-14(2)26-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)25-8-6-24(3)7-9-25;1-13(2)26-16-5-4-15-10-21-20(17(15)8-16)18-9-19(23-12-22-18)24-6-7-25-14(3)11-24;1-12-9-23(10-13(2)25-12)18-7-17(21-11-22-18)19-16-6-15(24-3)5-4-14(16)8-20-19/h2-5,10-11,13-14H,6-9,12H2,1H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-5,8-9,12-14H,6-7,10-11H2,1-3H3;4-7,11-13H,8-10H2,1-3H3/t;;;14-;12-,13+/m...1./s1
InChIKeyNLKAXGXBNCEQGO-IMMIMSLUSA-N
MW1845.26 g/mol
LogP12.09
Rot. Bonds20

About (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole

(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole (PubChem CID 159814170) has the molecular formula C101H117N23O10S and a molecular weight of 1845.26 g/mol. Its IUPAC name is (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole.

Molecular Properties

Compound Name(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
PubChem CID159814170
Molecular FormulaC101H117N23O10S
Molecular Weight1845.26 g/mol
Exact Mass1843.91
IUPAC Name(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
SMILESCC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2.COc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.COc1ccncc1-c1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2
InChIInChI=1S/C22H21N5O2.C20H25N5O3S.C20H25N5O.C20H24N4O2.C19H22N4O2/c1-28-20-4-5-23-13-18(20)15-2-3-16-12-24-22(17(16)10-15)19-11-21(26-14-25-19)27-6-8-29-9-7-27;1-14(2)28-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)24-6-8-25(9-7-24)29(3,26)27;1-14(2)26-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)25-8-6-24(3)7-9-25;1-13(2)26-16-5-4-15-10-21-20(17(15)8-16)18-9-19(23-12-22-18)24-6-7-25-14(3)11-24;1-12-9-23(10-13(2)25-12)18-7-17(21-11-22-18)19-16-6-15(24-3)5-4-14(16)8-20-19/h2-5,10-11,13-14H,6-9,12H2,1H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-5,8-9,12-14H,6-7,10-11H2,1-3H3;4-7,11-13H,8-10H2,1-3H3/t;;;14-;12-,13+/m...1./s1
InChIKeyNLKAXGXBNCEQGO-IMMIMSLUSA-N
XLogP12.09
TPSA334.25 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.26
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 158474472
(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 157362787
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
CID 158298103
4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 159647573
(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 158740441
(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 159726399
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
(2S,6R)-2,6-dimethyl-4-[6-[6-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159914109
4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 146914043
4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 161078113

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
The IUPAC name of (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole (CID 159814170) is (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole.
What is the SMILES notation for (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
The canonical SMILES for (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole is CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(C)(=O)=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2.COc1ccc2c(c1)C(c1cc(N3C[C@@H](C)O[C@@H](C)C3)ncn1)=NC2.COc1ccncc1-c1ccc2c(c1)C(c1cc(N3CCOCC3)ncn1)=NC2.
What is the InChIKey of (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
The InChIKey is NLKAXGXBNCEQGO-IMMIMSLUSA-N. The full InChI is InChI=1S/C22H21N5O2.C20H25N5O3S.C20H25N5O.C20H24N4O2.C19H22N4O2/c1-28-20-4-5-23-13-18(20)15-2-3-16-12-24-22(17(16)10-15)19-11-21(26-14-25-19)27-6-8-29-9-7-27;1-14(2)28-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)24-6-8-25(9-7-24)29(3,26)27;1-14(2)26-16-5-4-15-12-21-20(17(15)10-16)18-11-19(23-13-22-18)25-8-6-24(3)7-9-25;1-13(2)26-16-5-4-15-10-21-20(17(15)8-16)18-9-19(23-12-22-18)24-6-7-25-14(3)11-24;1-12-9-23(10-13(2)25-12)18-7-17(21-11-22-18)19-16-6-15(24-3)5-4-14(16)8-20-19/h2-5,10-11,13-14H,6-9,12H2,1H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-5,10-11,13-14H,6-9,12H2,1-3H3;4-5,8-9,12-14H,6-7,10-11H2,1-3H3;4-7,11-13H,8-10H2,1-3H3/t;;;14-;12-,13+/m...1./s1.
What are the key properties of (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole has a molecular weight of 1845.26 g/mol, XLogP of 12.09, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole is sourced from PubChem (CID 159814170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).