acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

C357H58BrN15O3Si — CID 157250259

IUPACacetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1.CC(C)c1cnc(Br)cc1Oc1cnc(N)nc1N.CC(C)c1cnc(C#C[Si](C)(C)C)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C246H2.C66H2.C17H23N5OSi.C14H15N5O.C12H14BrN5O.C2H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-183-185-187-189-191-193-195-197-199-201-203-205-207-209-211-213-215-217-219-221-223-225-227-229-231-233-235-237-239-241-243-245-246-244-242-240-238-236-234-232-230-228-226-224-222-220-218-216-214-212-210-208-206-204-202-200-198-196-194-192-190-188-186-184-182-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-11(2)13-9-20-12(6-7-24(3,4)5)8-14(13)23-15-10-21-17(19)22-16(15)18;1-4-9-5-11(10(6-17-9)8(2)3)20-12-7-18-14(16)19-13(12)15;1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14;1-2/h1-2H;1-2H;8-11H,1-5H3,(H4,18,19,21,22);1,5-8H,2-3H3,(H4,15,16,18,19);3-6H,1-2H3,(H4,14,15,17,18);1-2H
InChIKeyAWGHZXSBCIHOPX-UHFFFAOYSA-N
MW4712.48 g/mol
LogP9.10
Rot. Bonds9

About acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 157250259) has the molecular formula C357H58BrN15O3Si and a molecular weight of 4712.48 g/mol. Its IUPAC name is acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameacetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID157250259
Molecular FormulaC357H58BrN15O3Si
Molecular Weight4712.48 g/mol
Exact Mass4707.38
IUPAC Nameacetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1.CC(C)c1cnc(Br)cc1Oc1cnc(N)nc1N.CC(C)c1cnc(C#C[Si](C)(C)C)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C246H2.C66H2.C17H23N5OSi.C14H15N5O.C12H14BrN5O.C2H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-183-185-187-189-191-193-195-197-199-201-203-205-207-209-211-213-215-217-219-221-223-225-227-229-231-233-235-237-239-241-243-245-246-244-242-240-238-236-234-232-230-228-226-224-222-220-218-216-214-212-210-208-206-204-202-200-198-196-194-192-190-188-186-184-182-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-11(2)13-9-20-12(6-7-24(3,4)5)8-14(13)23-15-10-21-17(19)22-16(15)18;1-4-9-5-11(10(6-17-9)8(2)3)20-12-7-18-14(16)19-13(12)15;1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14;1-2/h1-2H;1-2H;8-11H,1-5H3,(H4,18,19,21,22);1,5-8H,2-3H3,(H4,15,16,18,19);3-6H,1-2H3,(H4,14,15,17,18);1-2H
InChIKeyAWGHZXSBCIHOPX-UHFFFAOYSA-N
XLogP9.10
TPSA299.82 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms377
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004712.48
LogP ≤ 59.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 157172904
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-phenyl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 165064518
2-[[2-Amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine
CID 167615009
N-benzyl-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 167617312
5-[[2-[Cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine
CID 167637294
N-benzyl-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-bromo-5-(2-methylpropyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 167642809
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethenyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-phenyl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 167683385
5-((5-Isopropyl-2-(pyridin-2-ylethynyl)pyridin-4-yl)oxy)pyrimidine-2,4-diamine
CID 151558019
5-((5-Isopropyl-2-(pyridin-4-ylethynyl)pyridin-4-yl)oxy)pyrimidine-2,4-diamine
CID 155124168
5-[[5-Propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
CID 142576061
5-[[2-[5-[4-(2,4-Diaminopyrimidin-5-yl)oxy-6-[ethyl(methyl)amino]-3-pyridinyl]-2-methylhexan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
CID 156484108
2-[[4-Amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;bis(5-[(2-ethynyl-5-prop-1-en-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);5-[(2-ethynyl-5-prop-1-en-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
CID 157220695

Frequently Asked Questions

What is the IUPAC name of acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 157250259) is acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is C#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1.CC(C)c1cnc(Br)cc1Oc1cnc(N)nc1N.CC(C)c1cnc(C#C[Si](C)(C)C)cc1Oc1cnc(N)nc1N.
What is the InChIKey of acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is AWGHZXSBCIHOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C246H2.C66H2.C17H23N5OSi.C14H15N5O.C12H14BrN5O.C2H2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-183-185-187-189-191-193-195-197-199-201-203-205-207-209-211-213-215-217-219-221-223-225-227-229-231-233-235-237-239-241-243-245-246-244-242-240-238-236-234-232-230-228-226-224-222-220-218-216-214-212-210-208-206-204-202-200-198-196-194-192-190-188-186-184-182-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-11(2)13-9-20-12(6-7-24(3,4)5)8-14(13)23-15-10-21-17(19)22-16(15)18;1-4-9-5-11(10(6-17-9)8(2)3)20-12-7-18-14(16)19-13(12)15;1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14;1-2/h1-2H;1-2H;8-11H,1-5H3,(H4,18,19,21,22);1,5-8H,2-3H3,(H4,15,16,18,19);3-6H,1-2H3,(H4,14,15,17,18);1-2H.
What are the key properties of acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 4712.48 g/mol, XLogP of 9.10, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239,241,243,245-tricosahectayne;5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 157250259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).