1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide

C135H132F7N29O10S2 — CID 158321979

IUPAC1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.Cc1cnc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)s1.Cc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)sc1C.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(C(F)(F)F)ccc4N4CCOCC4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc5ccccc5cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)c(F)c4)CCOCC3)cc2)cn1
InChIInChI=1S/C27H28F3N5O3.C25H23N5O2.C23H20F4N4O2.C21H21N5O.C20H21N5OS.C19H19N5OS/c28-27(29,30)21-5-6-23(35-9-13-38-14-10-35)22(15-21)34-24(36)26(7-11-37-12-8-26)20-3-1-18(2-4-20)19-16-32-25(31)33-17-19;26-24-28-15-20(16-29-24)17-5-7-21(8-6-17)25(9-11-32-12-10-25)23(31)30-22-13-18-3-1-2-4-19(18)14-27-22;24-19-11-17(5-6-18(19)23(25,26)27)31-20(32)22(7-9-33-10-8-22)16-3-1-14(2-4-16)15-12-29-21(28)30-13-15;1-14-3-8-18(23-11-14)26-19(27)21(9-2-10-21)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16;1-12-13(2)27-19(24-12)25-17(26)20(8-3-9-20)16-6-4-14(5-7-16)15-10-22-18(21)23-11-15;1-12-9-23-18(26-12)24-16(25)19(7-2-8-19)15-5-3-13(4-6-15)14-10-21-17(20)22-11-14/h1-6,15-17H,7-14H2,(H,34,36)(H2,31,32,33);1-8,13-16H,9-12H2,(H2,26,28,29)(H,27,30,31);1-6,11-13H,7-10H2,(H,31,32)(H2,28,29,30);3-8,11-13H,2,9-10H2,1H3,(H2,22,24,25)(H,23,26,27);4-7,10-11H,3,8-9H2,1-2H3,(H2,21,22,23)(H,24,25,26);3-6,9-11H,2,7-8H2,1H3,(H2,20,21,22)(H,23,24,25)
InChIKeyGOYPUPPINIRWEO-UHFFFAOYSA-N
MW2517.85 g/mol
LogP23.70
Rot. Bonds25

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 158321979) has the molecular formula C135H132F7N29O10S2 and a molecular weight of 2517.85 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID158321979
Molecular FormulaC135H132F7N29O10S2
Molecular Weight2517.85 g/mol
Exact Mass2516.00
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.Cc1cnc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)s1.Cc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)sc1C.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(C(F)(F)F)ccc4N4CCOCC4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc5ccccc5cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)c(F)c4)CCOCC3)cc2)cn1
InChIInChI=1S/C27H28F3N5O3.C25H23N5O2.C23H20F4N4O2.C21H21N5O.C20H21N5OS.C19H19N5OS/c28-27(29,30)21-5-6-23(35-9-13-38-14-10-35)22(15-21)34-24(36)26(7-11-37-12-8-26)20-3-1-18(2-4-20)19-16-32-25(31)33-17-19;26-24-28-15-20(16-29-24)17-5-7-21(8-6-17)25(9-11-32-12-10-25)23(31)30-22-13-18-3-1-2-4-19(18)14-27-22;24-19-11-17(5-6-18(19)23(25,26)27)31-20(32)22(7-9-33-10-8-22)16-3-1-14(2-4-16)15-12-29-21(28)30-13-15;1-14-3-8-18(23-11-14)26-19(27)21(9-2-10-21)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16;1-12-13(2)27-19(24-12)25-17(26)20(8-3-9-20)16-6-4-14(5-7-16)15-10-22-18(21)23-11-15;1-12-9-23-18(26-12)24-16(25)19(7-2-8-19)15-5-3-13(4-6-15)14-10-21-17(20)22-11-14/h1-6,15-17H,7-14H2,(H,34,36)(H2,31,32,33);1-8,13-16H,9-12H2,(H2,26,28,29)(H,27,30,31);1-6,11-13H,7-10H2,(H,31,32)(H2,28,29,30);3-8,11-13H,2,9-10H2,1H3,(H2,22,24,25)(H,23,26,27);4-7,10-11H,3,8-9H2,1-2H3,(H2,21,22,23)(H,24,25,26);3-6,9-11H,2,7-8H2,1H3,(H2,20,21,22)(H,23,24,25)
InChIKeyGOYPUPPINIRWEO-UHFFFAOYSA-N
XLogP23.70
TPSA577.12 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002517.85
LogP ≤ 523.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide with MolForge

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Related Compounds

4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;tert-butyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 158896350
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 159482284
4-[4-(5-amino-6-methylpyrazin-2-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-benzylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 159744430
2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-cyclopentyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]oxane-4-carboxamide
CID 161918040
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 161998573

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 158321979) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide is Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.Cc1cnc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)s1.Cc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)sc1C.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(C(F)(F)F)ccc4N4CCOCC4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc5ccccc5cn4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)c(F)c4)CCOCC3)cc2)cn1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is GOYPUPPINIRWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O3.C25H23N5O2.C23H20F4N4O2.C21H21N5O.C20H21N5OS.C19H19N5OS/c28-27(29,30)21-5-6-23(35-9-13-38-14-10-35)22(15-21)34-24(36)26(7-11-37-12-8-26)20-3-1-18(2-4-20)19-16-32-25(31)33-17-19;26-24-28-15-20(16-29-24)17-5-7-21(8-6-17)25(9-11-32-12-10-25)23(31)30-22-13-18-3-1-2-4-19(18)14-27-22;24-19-11-17(5-6-18(19)23(25,26)27)31-20(32)22(7-9-33-10-8-22)16-3-1-14(2-4-16)15-12-29-21(28)30-13-15;1-14-3-8-18(23-11-14)26-19(27)21(9-2-10-21)17-6-4-15(5-7-17)16-12-24-20(22)25-13-16;1-12-13(2)27-19(24-12)25-17(26)20(8-3-9-20)16-6-4-14(5-7-16)15-10-22-18(21)23-11-15;1-12-9-23-18(26-12)24-16(25)19(7-2-8-19)15-5-3-13(4-6-15)14-10-21-17(20)22-11-14/h1-6,15-17H,7-14H2,(H,34,36)(H2,31,32,33);1-8,13-16H,9-12H2,(H2,26,28,29)(H,27,30,31);1-6,11-13H,7-10H2,(H,31,32)(H2,28,29,30);3-8,11-13H,2,9-10H2,1H3,(H2,22,24,25)(H,23,26,27);4-7,10-11H,3,8-9H2,1-2H3,(H2,21,22,23)(H,24,25,26);3-6,9-11H,2,7-8H2,1H3,(H2,20,21,22)(H,23,24,25).
What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide?
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 2517.85 g/mol, XLogP of 23.70, 25 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-isoquinolin-3-yloxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 158321979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).