6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine

C95H106F6N34O10 — CID 159729779

IUPAC6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCOc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1OC.Nc1ccc(-c2cc(Nc3cccc4c3OCCO4)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCC(C(F)(F)F)CC3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCCC(=O)C3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3cnccc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H22N6O3.C21H24N6O3.C18H17F3N8O.C18H22F3N7O.C17H21N7O2/c22-18-5-4-14(13-23-18)16-12-19(26-21(25-16)27-6-8-28-9-7-27)24-15-2-1-3-17-20(15)30-11-10-29-17;1-28-17-5-4-15(11-18(17)29-2)24-20-12-16(14-3-6-19(22)23-13-14)25-21(26-20)27-7-9-30-10-8-27;19-18(20,21)12-1-2-23-10-14(12)26-15-7-13(11-8-24-16(22)25-9-11)27-17(28-15)29-3-5-30-6-4-29;19-18(20,21)13-1-3-27(4-2-13)15-9-14(12-10-23-16(22)24-11-12)25-17(26-15)28-5-7-29-8-6-28;18-16-19-9-12(10-20-16)14-8-15(24-3-1-2-13(25)11-24)22-17(21-14)23-4-6-26-7-5-23/h1-5,12-13H,6-11H2,(H2,22,23)(H,24,25,26);3-6,11-13H,7-10H2,1-2H3,(H2,22,23)(H,24,25,26);1-2,7-10H,3-6H2,(H2,22,24,25)(H,26,27,28);9-11,13H,1-8H2,(H2,22,23,24);8-10H,1-7,11H2,(H2,18,19,20)
InChIKeyNBCBOZWFHXTFSC-UHFFFAOYSA-N
MW1998.11 g/mol
LogP10.35
Rot. Bonds20

About 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine

6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 159729779) has the molecular formula C95H106F6N34O10 and a molecular weight of 1998.11 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID159729779
Molecular FormulaC95H106F6N34O10
Molecular Weight1998.11 g/mol
Exact Mass1996.87
IUPAC Name6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCOc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1OC.Nc1ccc(-c2cc(Nc3cccc4c3OCCO4)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCC(C(F)(F)F)CC3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCCC(=O)C3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3cnccc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H22N6O3.C21H24N6O3.C18H17F3N8O.C18H22F3N7O.C17H21N7O2/c22-18-5-4-14(13-23-18)16-12-19(26-21(25-16)27-6-8-28-9-7-27)24-15-2-1-3-17-20(15)30-11-10-29-17;1-28-17-5-4-15(11-18(17)29-2)24-20-12-16(14-3-6-19(22)23-13-14)25-21(26-20)27-7-9-30-10-8-27;19-18(20,21)12-1-2-23-10-14(12)26-15-7-13(11-8-24-16(22)25-9-11)27-17(28-15)29-3-5-30-6-4-29;19-18(20,21)13-1-3-27(4-2-13)15-9-14(12-10-23-16(22)24-11-12)25-17(26-15)28-5-7-29-8-6-28;18-16-19-9-12(10-20-16)14-8-15(24-3-1-2-13(25)11-24)22-17(21-14)23-4-6-26-7-5-23/h1-5,12-13H,6-11H2,(H2,22,23)(H,24,25,26);3-6,11-13H,7-10H2,1-2H3,(H2,22,23)(H,24,25,26);1-2,7-10H,3-6H2,(H2,22,24,25)(H,26,27,28);9-11,13H,1-8H2,(H2,22,23,24);8-10H,1-7,11H2,(H2,18,19,20)
InChIKeyNBCBOZWFHXTFSC-UHFFFAOYSA-N
XLogP10.35
TPSA533.92 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds20
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001998.11
LogP ≤ 510.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine (CID 159729779) is 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine is COc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1OC.Nc1ccc(-c2cc(Nc3cccc4c3OCCO4)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCC(C(F)(F)F)CC3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCCC(=O)C3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3cnccc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is NBCBOZWFHXTFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3.C21H24N6O3.C18H17F3N8O.C18H22F3N7O.C17H21N7O2/c22-18-5-4-14(13-23-18)16-12-19(26-21(25-16)27-6-8-28-9-7-27)24-15-2-1-3-17-20(15)30-11-10-29-17;1-28-17-5-4-15(11-18(17)29-2)24-20-12-16(14-3-6-19(22)23-13-14)25-21(26-20)27-7-9-30-10-8-27;19-18(20,21)12-1-2-23-10-14(12)26-15-7-13(11-8-24-16(22)25-9-11)27-17(28-15)29-3-5-30-6-4-29;19-18(20,21)13-1-3-27(4-2-13)15-9-14(12-10-23-16(22)24-11-12)25-17(26-15)28-5-7-29-8-6-28;18-16-19-9-12(10-20-16)14-8-15(24-3-1-2-13(25)11-24)22-17(21-14)23-4-6-26-7-5-23/h1-5,12-13H,6-11H2,(H2,22,23)(H,24,25,26);3-6,11-13H,7-10H2,1-2H3,(H2,22,23)(H,24,25,26);1-2,7-10H,3-6H2,(H2,22,24,25)(H,26,27,28);9-11,13H,1-8H2,(H2,22,23,24);8-10H,1-7,11H2,(H2,18,19,20).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine?
6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 1998.11 g/mol, XLogP of 10.35, 20 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 159729779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).