6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine

C90H122N26O11S5 — CID 160758476

IUPAC6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine
SMILESCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(C)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(N)nc(C3CC3)c2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccccc2)n1.Cc1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(N)n1.Cc1cccc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)c1
InChIInChI=1S/C19H26N6O3S.C19H26N6O2S.C18H24N4O2S.C17H24N6O2S.C17H22N4O2S/c1-12-8-14(9-15(21-12)19(26)20-3)18-22-16(24-29(4,5)27)10-17(23-18)25-6-7-28-11-13(25)2;1-12-11-27-7-6-25(12)18-10-17(24-28(2,3)26)22-19(23-18)14-8-15(13-4-5-13)21-16(20)9-14;1-13-6-5-7-15(10-13)18-19-16(21-25(3,4)23)11-17(20-18)22-8-9-24-12-14(22)2;1-11-7-13(8-14(18)19-11)17-20-15(22-26(3,4)24)9-16(21-17)23-5-6-25-10-12(23)2;1-13-12-23-10-9-21(13)16-11-15(20-24(2,3)22)18-17(19-16)14-7-5-4-6-8-14/h8-10,13H,6-7,11H2,1-5H3,(H,20,26);8-10,12-13H,4-7,11H2,1-3H3,(H2,20,21);5-7,10-11,14H,8-9,12H2,1-4H3;7-9,12H,5-6,10H2,1-4H3,(H2,18,19);4-8,11,13H,9-10,12H2,1-3H3/t13-;12-;14-;12-;13-/m11111/s1
InChIKeyRXSYKIKZXGVQMH-CFRQJLNESA-N
MW1904.47 g/mol
LogP12.15
Rot. Bonds17

About 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine

6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine (PubChem CID 160758476) has the molecular formula C90H122N26O11S5 and a molecular weight of 1904.47 g/mol. Its IUPAC name is 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine
PubChem CID160758476
Molecular FormulaC90H122N26O11S5
Molecular Weight1904.47 g/mol
Exact Mass1902.84
IUPAC Name6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine
SMILESCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(C)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(N)nc(C3CC3)c2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccccc2)n1.Cc1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(N)n1.Cc1cccc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)c1
InChIInChI=1S/C19H26N6O3S.C19H26N6O2S.C18H24N4O2S.C17H24N6O2S.C17H22N4O2S/c1-12-8-14(9-15(21-12)19(26)20-3)18-22-16(24-29(4,5)27)10-17(23-18)25-6-7-28-11-13(25)2;1-12-11-27-7-6-25(12)18-10-17(24-28(2,3)26)22-19(23-18)14-8-15(13-4-5-13)21-16(20)9-14;1-13-6-5-7-15(10-13)18-19-16(21-25(3,4)23)11-17(20-18)22-8-9-24-12-14(22)2;1-11-7-13(8-14(18)19-11)17-20-15(22-26(3,4)24)9-16(21-17)23-5-6-25-10-12(23)2;1-13-12-23-10-9-21(13)16-11-15(20-24(2,3)22)18-17(19-16)14-7-5-4-6-8-14/h8-10,13H,6-7,11H2,1-5H3,(H,20,26);8-10,12-13H,4-7,11H2,1-3H3,(H2,20,21);5-7,10-11,14H,8-9,12H2,1-4H3;7-9,12H,5-6,10H2,1-4H3,(H2,18,19);4-8,11,13H,9-10,12H2,1-3H3/t13-;12-;14-;12-;13-/m11111/s1
InChIKeyRXSYKIKZXGVQMH-CFRQJLNESA-N
XLogP12.15
TPSA458.21 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds17
Heavy Atoms132
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.47
LogP ≤ 512.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Analyze 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine?
The IUPAC name of 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine (CID 160758476) is 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine.
What is the SMILES notation for 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine?
The canonical SMILES for 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine is CNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(C)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(N)nc(C3CC3)c2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccccc2)n1.Cc1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(N)n1.Cc1cccc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)c1.
What is the InChIKey of 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine?
The InChIKey is RXSYKIKZXGVQMH-CFRQJLNESA-N. The full InChI is InChI=1S/C19H26N6O3S.C19H26N6O2S.C18H24N4O2S.C17H24N6O2S.C17H22N4O2S/c1-12-8-14(9-15(21-12)19(26)20-3)18-22-16(24-29(4,5)27)10-17(23-18)25-6-7-28-11-13(25)2;1-12-11-27-7-6-25(12)18-10-17(24-28(2,3)26)22-19(23-18)14-8-15(13-4-5-13)21-16(20)9-14;1-13-6-5-7-15(10-13)18-19-16(21-25(3,4)23)11-17(20-18)22-8-9-24-12-14(22)2;1-11-7-13(8-14(18)19-11)17-20-15(22-26(3,4)24)9-16(21-17)23-5-6-25-10-12(23)2;1-13-12-23-10-9-21(13)16-11-15(20-24(2,3)22)18-17(19-16)14-7-5-4-6-8-14/h8-10,13H,6-7,11H2,1-5H3,(H,20,26);8-10,12-13H,4-7,11H2,1-3H3,(H2,20,21);5-7,10-11,14H,8-9,12H2,1-4H3;7-9,12H,5-6,10H2,1-4H3,(H2,18,19);4-8,11,13H,9-10,12H2,1-3H3/t13-;12-;14-;12-;13-/m11111/s1.
What are the key properties of 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine?
6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine has a molecular weight of 1904.47 g/mol, XLogP of 12.15, 17 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(3-methylphenyl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-phenylpyrimidin-4-yl]imino-oxo-λ6-sulfane;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N,6-dimethylpyridine-2-carboxamide;4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methylpyridin-2-amine is sourced from PubChem (CID 160758476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).