4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate

C92H96F4N24O18 — CID 159353557

IUPAC4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc(N)n1.COC(=O)c1cc(C(=O)OC)nc(N)n1.COC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc(N)n2)cc1C.Cc1cc(C)nc(N)n1.Cc1cc(CNC(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(=O)O)c(C)c3)nc(N)n2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)O)nc(N)n2)ccc1F
InChIInChI=1S/C25H26FN5O4.C24H24FN5O4.C15H15FN4O3.C14H13FN4O3.C8H9N3O4.C6H9N3/c1-13-10-17(6-7-18(13)24(34)35-4)15(3)29-23(33)21-11-20(30-25(27)31-21)22(32)28-12-16-5-8-19(26)14(2)9-16;1-12-9-16(5-6-17(12)23(33)34)14(3)28-22(32)20-10-19(29-24(26)30-20)21(31)27-11-15-4-7-18(25)13(2)8-15;1-8-5-9(3-4-10(8)16)7-18-13(21)11-6-12(14(22)23-2)20-15(17)19-11;1-7-4-8(2-3-9(7)15)6-17-12(20)10-5-11(13(21)22)19-14(16)18-10;1-14-6(12)4-3-5(7(13)15-2)11-8(9)10-4;1-4-3-5(2)9-6(7)8-4/h5-11,15H,12H2,1-4H3,(H,28,32)(H,29,33)(H2,27,30,31);4-10,14H,11H2,1-3H3,(H,27,31)(H,28,32)(H,33,34)(H2,26,29,30);3-6H,7H2,1-2H3,(H,18,21)(H2,17,19,20);2-5H,6H2,1H3,(H,17,20)(H,21,22)(H2,16,18,19);3H,1-2H3,(H2,9,10,11);3H,1-2H3,(H2,7,8,9)/t15-;14-;;;;/m00..../s1
InChIKeyLHQBJLJQPDKZFX-ZCKSPZHFSA-N
MW1901.92 g/mol
LogP8.62
Rot. Bonds24

About 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate

4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate (PubChem CID 159353557) has the molecular formula C92H96F4N24O18 and a molecular weight of 1901.92 g/mol. Its IUPAC name is 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Name4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
PubChem CID159353557
Molecular FormulaC92H96F4N24O18
Molecular Weight1901.92 g/mol
Exact Mass1900.73
IUPAC Name4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc(N)n1.COC(=O)c1cc(C(=O)OC)nc(N)n1.COC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc(N)n2)cc1C.Cc1cc(C)nc(N)n1.Cc1cc(CNC(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(=O)O)c(C)c3)nc(N)n2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)O)nc(N)n2)ccc1F
InChIInChI=1S/C25H26FN5O4.C24H24FN5O4.C15H15FN4O3.C14H13FN4O3.C8H9N3O4.C6H9N3/c1-13-10-17(6-7-18(13)24(34)35-4)15(3)29-23(33)21-11-20(30-25(27)31-21)22(32)28-12-16-5-8-19(26)14(2)9-16;1-12-9-16(5-6-17(12)23(33)34)14(3)28-22(32)20-10-19(29-24(26)30-20)21(31)27-11-15-4-7-18(25)13(2)8-15;1-8-5-9(3-4-10(8)16)7-18-13(21)11-6-12(14(22)23-2)20-15(17)19-11;1-7-4-8(2-3-9(7)15)6-17-12(20)10-5-11(13(21)22)19-14(16)18-10;1-14-6(12)4-3-5(7(13)15-2)11-8(9)10-4;1-4-3-5(2)9-6(7)8-4/h5-11,15H,12H2,1-4H3,(H,28,32)(H,29,33)(H2,27,30,31);4-10,14H,11H2,1-3H3,(H,27,31)(H,28,32)(H,33,34)(H2,26,29,30);3-6H,7H2,1-2H3,(H,18,21)(H2,17,19,20);2-5H,6H2,1H3,(H,17,20)(H,21,22)(H2,16,18,19);3H,1-2H3,(H2,9,10,11);3H,1-2H3,(H2,7,8,9)/t15-;14-;;;;/m00..../s1
InChIKeyLHQBJLJQPDKZFX-ZCKSPZHFSA-N
XLogP8.62
TPSA665.20 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001901.92
LogP ≤ 58.62
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

1-(6-Acetylpyrimidin-4-yl)ethanone;butane;but-1-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-[1-[[6-[(4-fluorophenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-methyl-4-propan-2-ylbenzoic acid
CID 143502193
4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoic acid;bis((2S)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid);dimethyl (2S)-2-amino-4-methylidenepentanedioate;bis(dimethyl (2S)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioate)
CID 157110557
6-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;6-methoxycarbonylpyrimidine-4-carboxylic acid;methyl 6-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate
CID 157286195
(2R,4S)-4-[(4-carbamoyl-2-oxo-1H-pyrimidine-6-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;methyl 2-chloro-6-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyrimidine-4-carboxylate
CID 157459473
bis(4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoic acid);(2S)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid;dimethyl (2S)-2-amino-4-methylidenepentanedioate;bis(dimethyl (2S)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioate);methyl 4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoate
CID 158100231
bis(5-[4-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-6-carbamoylpyrimidin-2-yl]-2-fluorobenzoic acid);6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-chloropyrimidine-4-carboxamide;(4-fluoro-3-methoxycarbonylphenyl)boronic acid
CID 158327038
2-chloro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;2-chloro-6-methoxycarbonylpyrimidine-4-carboxylic acid;(1S)-1-[[2-(dimethylamino)-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid;2-(dimethylamino)-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;methyl 2-chloro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate;methyl 2-chloro-6-methylpyrimidine-4-carboxylate;methyl (1S)-1-[[2-(dimethylamino)-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 158588396
Butyl 4-aminobenzoate;butyl 4-[[3-[8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoyl]amino]benzoate;3-[8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid
CID 159043733
tert-butyl (1R)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;tert-butyl (1S)-4-methyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;(1R)-1-[carboxymethyl-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]methyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 6-(bromomethyl)pyrimidine-4-carboxylate;methyl 6-[[[(1R)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrimidine-4-carboxylate
CID 159046315
6-[(4-Fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 159257823
6-[[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;6-methoxycarbonylpyrimidine-4-carboxylic acid;methyl 6-[[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate
CID 159673429
6-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide;tert-butyl N-[6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]pyrimidin-4-yl]carbamate;6-[[2-(4-fluorophenyl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide;6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]pyrimidine-4-carboxylic acid;hydrochloride
CID 159721218

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
The IUPAC name of 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate (CID 159353557) is 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate.
What is the SMILES notation for 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
The canonical SMILES for 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate is COC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc(N)n1.COC(=O)c1cc(C(=O)OC)nc(N)n1.COC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc(N)n2)cc1C.Cc1cc(C)nc(N)n1.Cc1cc(CNC(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(=O)O)c(C)c3)nc(N)n2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)O)nc(N)n2)ccc1F.
What is the InChIKey of 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
The InChIKey is LHQBJLJQPDKZFX-ZCKSPZHFSA-N. The full InChI is InChI=1S/C25H26FN5O4.C24H24FN5O4.C15H15FN4O3.C14H13FN4O3.C8H9N3O4.C6H9N3/c1-13-10-17(6-7-18(13)24(34)35-4)15(3)29-23(33)21-11-20(30-25(27)31-21)22(32)28-12-16-5-8-19(26)14(2)9-16;1-12-9-16(5-6-17(12)23(33)34)14(3)28-22(32)20-10-19(29-24(26)30-20)21(31)27-11-15-4-7-18(25)13(2)8-15;1-8-5-9(3-4-10(8)16)7-18-13(21)11-6-12(14(22)23-2)20-15(17)19-11;1-7-4-8(2-3-9(7)15)6-17-12(20)10-5-11(13(21)22)19-14(16)18-10;1-14-6(12)4-3-5(7(13)15-2)11-8(9)10-4;1-4-3-5(2)9-6(7)8-4/h5-11,15H,12H2,1-4H3,(H,28,32)(H,29,33)(H2,27,30,31);4-10,14H,11H2,1-3H3,(H,27,31)(H,28,32)(H,33,34)(H2,26,29,30);3-6H,7H2,1-2H3,(H,18,21)(H2,17,19,20);2-5H,6H2,1H3,(H,17,20)(H,21,22)(H2,16,18,19);3H,1-2H3,(H2,9,10,11);3H,1-2H3,(H2,7,8,9)/t15-;14-;;;;/m00..../s1.
What are the key properties of 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate?
4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate has a molecular weight of 1901.92 g/mol, XLogP of 8.62, 24 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoic acid;2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid;dimethyl 2-aminopyrimidine-4,6-dicarboxylate;4,6-dimethylpyrimidin-2-amine;methyl 4-[(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]ethyl]-2-methylbenzoate;methyl 2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 159353557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).