6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine

C98H114FN37O12S2 — CID 159681813

IUPAC6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC[C@@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)c1.Cc1cc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)ccn1.Nc1ncc(-c2cc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(OC3CCN(C(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C24H28N8O3.C19H21N7O3S.C19H21N7O.C18H18FN7O.C18H26N8O4S/c25-21-18(15-27-23(26)30-21)19-14-20(29-24(28-19)32-10-12-34-13-11-32)35-17-6-8-31(9-7-17)22(33)16-4-2-1-3-5-16;1-30(27,28)13-4-2-3-12(9-13)15-10-16(14-11-22-18(21)25-17(14)20)24-19(23-15)26-5-7-29-8-6-26;1-13-10-15(4-5-21-13)23-18-11-16(14-2-3-17(20)22-12-14)24-19(25-18)26-6-8-27-9-7-26;19-13-1-3-14(4-2-13)23-16-9-15(12-10-21-17(20)22-11-12)24-18(25-16)26-5-7-27-8-6-26;1-31(27,28)26-4-2-3-12(11-26)30-15-9-14(13-10-21-17(20)24-16(13)19)22-18(23-15)25-5-7-29-8-6-25/h1-5,14-15,17H,6-13H2,(H4,25,26,27,30);2-4,9-11H,5-8H2,1H3,(H4,20,21,22,25);2-5,10-12H,6-9H2,1H3,(H2,20,22)(H,21,23,24,25);1-4,9-11H,5-8H2,(H2,20,21,22)(H,23,24,25);9-10,12H,2-8,11H2,1H3,(H4,19,20,21,24)/t;;;;12-/m....1/s1
InChIKeyMVHKZVGCMMCMRP-GDCHUWMGSA-N
MW2085.37 g/mol
LogP7.00
Rot. Bonds22

About 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine

6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 159681813) has the molecular formula C98H114FN37O12S2 and a molecular weight of 2085.37 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine
PubChem CID159681813
Molecular FormulaC98H114FN37O12S2
Molecular Weight2085.37 g/mol
Exact Mass2083.89
IUPAC Name6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC[C@@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)c1.Cc1cc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)ccn1.Nc1ncc(-c2cc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(OC3CCN(C(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C24H28N8O3.C19H21N7O3S.C19H21N7O.C18H18FN7O.C18H26N8O4S/c25-21-18(15-27-23(26)30-21)19-14-20(29-24(28-19)32-10-12-34-13-11-32)35-17-6-8-31(9-7-17)22(33)16-4-2-1-3-5-16;1-30(27,28)13-4-2-3-12(9-13)15-10-16(14-11-22-18(21)25-17(14)20)24-19(23-15)26-5-7-29-8-6-26;1-13-10-15(4-5-21-13)23-18-11-16(14-2-3-17(20)22-12-14)24-19(25-18)26-6-8-27-9-7-26;19-13-1-3-14(4-2-13)23-16-9-15(12-10-21-17(20)22-11-12)24-18(25-16)26-5-7-27-8-6-26;1-31(27,28)26-4-2-3-12(11-26)30-15-9-14(13-10-21-17(20)24-16(13)19)22-18(23-15)25-5-7-29-8-6-25/h1-5,14-15,17H,6-13H2,(H4,25,26,27,30);2-4,9-11H,5-8H2,1H3,(H4,20,21,22,25);2-5,10-12H,6-9H2,1H3,(H2,20,22)(H,21,23,24,25);1-4,9-11H,5-8H2,(H2,20,21,22)(H,23,24,25);9-10,12H,2-8,11H2,1H3,(H4,19,20,21,24)/t;;;;12-/m....1/s1
InChIKeyMVHKZVGCMMCMRP-GDCHUWMGSA-N
XLogP7.00
TPSA662.66 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds22
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.37
LogP ≤ 57.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Analyze 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine (CID 159681813) is 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine is CS(=O)(=O)N1CCC[C@@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)c1.Cc1cc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)ccn1.Nc1ncc(-c2cc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(OC3CCN(C(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)c(N)n1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is MVHKZVGCMMCMRP-GDCHUWMGSA-N. The full InChI is InChI=1S/C24H28N8O3.C19H21N7O3S.C19H21N7O.C18H18FN7O.C18H26N8O4S/c25-21-18(15-27-23(26)30-21)19-14-20(29-24(28-19)32-10-12-34-13-11-32)35-17-6-8-31(9-7-17)22(33)16-4-2-1-3-5-16;1-30(27,28)13-4-2-3-12(9-13)15-10-16(14-11-22-18(21)25-17(14)20)24-19(23-15)26-5-7-29-8-6-26;1-13-10-15(4-5-21-13)23-18-11-16(14-2-3-17(20)22-12-14)24-19(25-18)26-6-8-27-9-7-26;19-13-1-3-14(4-2-13)23-16-9-15(12-10-21-17(20)22-11-12)24-18(25-16)26-5-7-27-8-6-26;1-31(27,28)26-4-2-3-12(11-26)30-15-9-14(13-10-21-17(20)24-16(13)19)22-18(23-15)25-5-7-29-8-6-25/h1-5,14-15,17H,6-13H2,(H4,25,26,27,30);2-4,9-11H,5-8H2,1H3,(H4,20,21,22,25);2-5,10-12H,6-9H2,1H3,(H2,20,22)(H,21,23,24,25);1-4,9-11H,5-8H2,(H2,20,21,22)(H,23,24,25);9-10,12H,2-8,11H2,1H3,(H4,19,20,21,24)/t;;;;12-/m....1/s1.
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine?
6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 2085.37 g/mol, XLogP of 7.00, 22 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;[4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159681813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).