2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C68H85Cl2F6N21O9S — CID 159812940

IUPAC2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(O)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1.CC(C)(O)c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.COC(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.C[C@H]1COCCN1c1nc(-c2cnc(N)cc2Cl)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C18H24ClN5O3S.C18H22F3N5O2.C16H20ClN5O2.C16H19F3N6O2/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26;1-17(2,27-3)14-9-13(24-16(25-14)26-4-6-28-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21;1-16(2,23)13-8-12(10-9-19-14(18)7-11(10)17)20-15(21-13)22-3-5-24-6-4-22;1-15(2,26)11-7-10(22-14(23-11)25-3-5-27-6-4-25)9-8-21-13(20)24-12(9)16(17,18)19/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21);8-10H,4-7H2,1-3H3,(H2,22,23);7-9,23H,3-6H2,1-2H3,(H2,18,19);7-8,26H,3-6H2,1-2H3,(H2,20,21,24)/t11-;;;/m0.../s1
InChIKeyNLGMISREPLEBEM-XVSRHIFFSA-N
MW1557.53 g/mol
LogP8.57
Rot. Bonds14

About 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159812940) has the molecular formula C68H85Cl2F6N21O9S and a molecular weight of 1557.53 g/mol. Its IUPAC name is 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID159812940
Molecular FormulaC68H85Cl2F6N21O9S
Molecular Weight1557.53 g/mol
Exact Mass1555.58
IUPAC Name2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(O)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1.CC(C)(O)c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.COC(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.C[C@H]1COCCN1c1nc(-c2cnc(N)cc2Cl)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C18H24ClN5O3S.C18H22F3N5O2.C16H20ClN5O2.C16H19F3N6O2/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26;1-17(2,27-3)14-9-13(24-16(25-14)26-4-6-28-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21;1-16(2,23)13-8-12(10-9-19-14(18)7-11(10)17)20-15(21-13)22-3-5-24-6-4-22;1-15(2,26)11-7-10(22-14(23-11)25-3-5-27-6-4-25)9-8-21-13(20)24-12(9)16(17,18)19/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21);8-10H,4-7H2,1-3H3,(H2,22,23);7-9,23H,3-6H2,1-2H3,(H2,18,19);7-8,26H,3-6H2,1-2H3,(H2,20,21,24)/t11-;;;/m0.../s1
InChIKeyNLGMISREPLEBEM-XVSRHIFFSA-N
XLogP8.57
TPSA405.36 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001557.53
LogP ≤ 58.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

(3S)-4-[4-chloro-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-2-yl]-3-methylmorpholine;(3S)-4-[4-chloro-6-(propan-2-ylsulfonylmethyl)pyrimidin-2-yl]-3-methylmorpholine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 159003632
4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159322316
4-Chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 159609430
2-[6-[6-Amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159996428
4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;4-(difluoromethyl)-5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 160142229
1-[2-Amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 160780842
4-[4-Chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine
CID 157495961

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 159812940) is 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)(O)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1.CC(C)(O)c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.COC(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.C[C@H]1COCCN1c1nc(-c2cnc(N)cc2Cl)cc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NLGMISREPLEBEM-XVSRHIFFSA-N. The full InChI is InChI=1S/C18H24ClN5O3S.C18H22F3N5O2.C16H20ClN5O2.C16H19F3N6O2/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26;1-17(2,27-3)14-9-13(24-16(25-14)26-4-6-28-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21;1-16(2,23)13-8-12(10-9-19-14(18)7-11(10)17)20-15(21-13)22-3-5-24-6-4-22;1-15(2,26)11-7-10(22-14(23-11)25-3-5-27-6-4-25)9-8-21-13(20)24-12(9)16(17,18)19/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21);8-10H,4-7H2,1-3H3,(H2,22,23);7-9,23H,3-6H2,1-2H3,(H2,18,19);7-8,26H,3-6H2,1-2H3,(H2,20,21,24)/t11-;;;/m0.../s1.
What are the key properties of 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1557.53 g/mol, XLogP of 8.57, 14 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159812940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).