6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide

C93H102F11N25O3 — CID 158292690

IUPAC6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESC=C(N)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)nn3)C3CC3)c2F)cc1.CC(C)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CC(C(N)=O)C3)c2F)C2CC2)cc1.CC(F)(F)c1ncc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1
InChIInChI=1S/C25H29FN6O.C23H23F4N7.C23H24F3N7O.C22H26F3N5O/c1-16(2)21-10-7-19(13-28-21)14-32(20-8-9-20)25-23(26)24(30-15-31-25)29-12-18-5-3-17(4-6-18)11-22(27)33;1-14(28)10-15-2-4-16(5-3-15)11-29-21-20(24)22(31-13-30-21)34(18-7-8-18)12-17-6-9-19(33-32-17)23(25,26)27;1-23(25,26)22-29-10-16(11-30-22)12-33(17-6-7-17)21-19(24)20(31-13-32-21)28-9-15-4-2-14(3-5-15)8-18(27)34;1-22(24,25)16-4-2-13(3-5-16)11-30(17-6-7-17)21-18(23)20(28-12-29-21)27-10-14-8-15(9-14)19(26)31/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3,(H2,27,33)(H,29,30,31);2-6,9,13,18H,1,7-8,10-12,28H2,(H,29,30,31);2-5,10-11,13,17H,6-9,12H2,1H3,(H2,27,34)(H,28,31,32);2-5,12,14-15,17H,6-11H2,1H3,(H2,26,31)(H,27,28,29)
InChIKeyGLNWYYNHFWFRTR-UHFFFAOYSA-N
MW1826.99 g/mol
LogP15.31
Rot. Bonds38

About 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide

6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 158292690) has the molecular formula C93H102F11N25O3 and a molecular weight of 1826.99 g/mol. Its IUPAC name is 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID158292690
Molecular FormulaC93H102F11N25O3
Molecular Weight1826.99 g/mol
Exact Mass1825.84
IUPAC Name6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESC=C(N)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)nn3)C3CC3)c2F)cc1.CC(C)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CC(C(N)=O)C3)c2F)C2CC2)cc1.CC(F)(F)c1ncc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1
InChIInChI=1S/C25H29FN6O.C23H23F4N7.C23H24F3N7O.C22H26F3N5O/c1-16(2)21-10-7-19(13-28-21)14-32(20-8-9-20)25-23(26)24(30-15-31-25)29-12-18-5-3-17(4-6-18)11-22(27)33;1-14(28)10-15-2-4-16(5-3-15)11-29-21-20(24)22(31-13-30-21)34(18-7-8-18)12-17-6-9-19(33-32-17)23(25,26)27;1-23(25,26)22-29-10-16(11-30-22)12-33(17-6-7-17)21-19(24)20(31-13-32-21)28-9-15-4-2-14(3-5-15)8-18(27)34;1-22(24,25)16-4-2-13(3-5-16)11-30(17-6-7-17)21-18(23)20(28-12-29-21)27-10-14-8-15(9-14)19(26)31/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3,(H2,27,33)(H,29,30,31);2-6,9,13,18H,1,7-8,10-12,28H2,(H,29,30,31);2-5,10-11,13,17H,6-9,12H2,1H3,(H2,27,34)(H,28,31,32);2-5,12,14-15,17H,6-11H2,1H3,(H2,26,31)(H,27,28,29)
InChIKeyGLNWYYNHFWFRTR-UHFFFAOYSA-N
XLogP15.31
TPSA383.94 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001826.99
LogP ≤ 515.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide with MolForge

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Related Compounds

[(7S)-7-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone;(5-methyl-2-pyrimidin-2-ylphenyl)-[(7S)-7-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 87180376
Bis[5-[2-(4-fluoropyrimidin-2-yl)piperazin-1-yl]-4-methyl-6-phenylpyridazin-3-yl]methanone
CID 89801766
2-[4-[6-[6-[6-[[2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]acetyl]amino]-3-pyridinyl]-2-pyridinyl]pyridazin-4-yl]phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
CID 90913161
3-[(3R)-3-[[6-[4-[[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]methyl]phenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 118140440
[4-[5-[2-[6-Amino-5-[3-[4-[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorobenzoyl]piperazin-1-yl]cyclopentyl]-3-pyridinyl]ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 123295430
[3-Methyl-4-[[4-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-1-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyridin-3-ylphenyl)methanone
CID 123596889
[5-Methyl-2-[1-[2-[1-(5-methyl-2-pyrazin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]ethyl]pyrazol-3-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123736718
[3-[3-[[(3R)-5,5-difluoro-1-[1-methyl-4-(2-methylphenyl)pyrazole-3-carbonyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-3-yl]methyl]pyridin-2-yl]-6-methylpyridin-2-yl]-[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 130341797
2-[4-[[[6-[Cyclopropyl-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 132166444
2-[4-[[[6-[[2-[4-[[5-(2-Amino-2-oxoethyl)pyridin-2-yl]methylamino]-6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-2-yl]cyclopropyl]-[[6-(trifluoromethyl)pyridin-2-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 132179902
2-[4-[[[6-[[6-(Difluoromethyl)pyridin-3-yl]methyl-[2-[2-[(2,5-dimethylpyrazol-3-yl)methyl-[5-fluoro-6-[(1-methylsulfonylpiperidin-4-yl)methylamino]pyrimidin-4-yl]amino]cyclohexyl]cyclopropyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 132179961
[4-[2-[2-Amino-5-[2-[4-ethyl-6-[3-fluoro-4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrimidin-5-yl]ethynyl]-3-pyridinyl]cyclopropyl]piperazin-1-yl]-[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 144227710

Frequently Asked Questions

What is the IUPAC name of 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 158292690) is 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide is C=C(N)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)nn3)C3CC3)c2F)cc1.CC(C)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CC(C(N)=O)C3)c2F)C2CC2)cc1.CC(F)(F)c1ncc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.
What is the InChIKey of 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is GLNWYYNHFWFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O.C23H23F4N7.C23H24F3N7O.C22H26F3N5O/c1-16(2)21-10-7-19(13-28-21)14-32(20-8-9-20)25-23(26)24(30-15-31-25)29-12-18-5-3-17(4-6-18)11-22(27)33;1-14(28)10-15-2-4-16(5-3-15)11-29-21-20(24)22(31-13-30-21)34(18-7-8-18)12-17-6-9-19(33-32-17)23(25,26)27;1-23(25,26)22-29-10-16(11-30-22)12-33(17-6-7-17)21-19(24)20(31-13-32-21)28-9-15-4-2-14(3-5-15)8-18(27)34;1-22(24,25)16-4-2-13(3-5-16)11-30(17-6-7-17)21-18(23)20(28-12-29-21)27-10-14-8-15(9-14)19(26)31/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3,(H2,27,33)(H,29,30,31);2-6,9,13,18H,1,7-8,10-12,28H2,(H,29,30,31);2-5,10-11,13,17H,6-9,12H2,1H3,(H2,27,34)(H,28,31,32);2-5,12,14-15,17H,6-11H2,1H3,(H2,26,31)(H,27,28,29).
What are the key properties of 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 1826.99 g/mol, XLogP of 15.31, 38 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrimidine-4,6-diamine;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)pyrimidin-5-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[(6-propan-2-yl-3-pyridinyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 158292690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).