N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea

C121H118N32O20S2 — CID 159433402

IUPACN-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
SMILESCN(C(=O)Nc1ccnc(NC(=O)N(C)c2ccccc2)n1)c1ccccc1.COc1cc(CN)nc(NC(=O)c2cccc(C)c2)n1.COc1cccc(C(=O)N(C)c2nc(OC)cc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nc(Nc3ccccc3)cc(OC)n2)c1.O=C(Nc1ccccc1)Nc1ccnc(NC(=O)Nc2ccccc2)n1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1.O=S(=O)(Nc1ccnc(NS(=O)(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H20N6O2.C19H18N4O3.C18H16N6O2.C18H14N4O4.C16H14N4O4S2.C16H20N4O3.C14H16N4O2/c1-25(15-9-5-3-6-10-15)19(27)23-17-13-14-21-18(22-17)24-20(28)26(2)16-11-7-4-8-12-16;1-25-15-10-6-7-13(11-15)18(24)23-19-21-16(12-17(22-19)26-2)20-14-8-4-3-5-9-14;25-17(20-13-7-3-1-4-8-13)23-15-11-12-19-16(22-15)24-18(26)21-14-9-5-2-6-10-14;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;21-25(22,13-7-3-1-4-8-13)19-15-11-12-17-16(18-15)20-26(23,24)14-9-5-2-6-10-14;1-19(2)13-10-14(23-5)18-16(17-13)20(3)15(21)11-7-6-8-12(9-11)22-4;1-9-4-3-5-10(6-9)13(19)18-14-16-11(8-15)7-12(17-14)20-2/h3-14H,1-2H3,(H2,21,22,23,24,27,28);3-12H,1-2H3,(H2,20,21,22,23,24);1-12H,(H4,19,20,21,22,23,24,25,26);1-12H,(H2,19,20,21,22,23,24);1-12H,(H2,17,18,19,20);6-10H,1-5H3;3-7H,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyLRGNWEKGCAMTGU-UHFFFAOYSA-N
MW2404.61 g/mol
LogP20.19
Rot. Bonds33

About N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea

N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea (PubChem CID 159433402) has the molecular formula C121H118N32O20S2 and a molecular weight of 2404.61 g/mol. Its IUPAC name is N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea.

Molecular Properties

Compound NameN-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
PubChem CID159433402
Molecular FormulaC121H118N32O20S2
Molecular Weight2404.61 g/mol
Exact Mass2402.86
IUPAC NameN-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
SMILESCN(C(=O)Nc1ccnc(NC(=O)N(C)c2ccccc2)n1)c1ccccc1.COc1cc(CN)nc(NC(=O)c2cccc(C)c2)n1.COc1cccc(C(=O)N(C)c2nc(OC)cc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nc(Nc3ccccc3)cc(OC)n2)c1.O=C(Nc1ccccc1)Nc1ccnc(NC(=O)Nc2ccccc2)n1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1.O=S(=O)(Nc1ccnc(NS(=O)(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H20N6O2.C19H18N4O3.C18H16N6O2.C18H14N4O4.C16H14N4O4S2.C16H20N4O3.C14H16N4O2/c1-25(15-9-5-3-6-10-15)19(27)23-17-13-14-21-18(22-17)24-20(28)26(2)16-11-7-4-8-12-16;1-25-15-10-6-7-13(11-15)18(24)23-19-21-16(12-17(22-19)26-2)20-14-8-4-3-5-9-14;25-17(20-13-7-3-1-4-8-13)23-15-11-12-19-16(22-15)24-18(26)21-14-9-5-2-6-10-14;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;21-25(22,13-7-3-1-4-8-13)19-15-11-12-17-16(18-15)20-26(23,24)14-9-5-2-6-10-14;1-19(2)13-10-14(23-5)18-16(17-13)20(3)15(21)11-7-6-8-12(9-11)22-4;1-9-4-3-5-10(6-9)13(19)18-14-16-11(8-15)7-12(17-14)20-2/h3-14H,1-2H3,(H2,21,22,23,24,27,28);3-12H,1-2H3,(H2,20,21,22,23,24);1-12H,(H4,19,20,21,22,23,24,25,26);1-12H,(H2,19,20,21,22,23,24);1-12H,(H2,17,18,19,20);6-10H,1-5H3;3-7H,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyLRGNWEKGCAMTGU-UHFFFAOYSA-N
XLogP20.19
TPSA662.35 Ų
H-Bond Donors14
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002404.61
LogP ≤ 520.19
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1037

Analyze N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea with MolForge

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Related Compounds

2-[2-[3-acetamido-2-[2-[2-[3-(carboxymethyl)phenyl]-3-methoxycarbonylphenyl]-3-sulfamoylphenyl]phenyl]-3-carbamoylphenyl]-3-[2-[4-[3-fluoro-2-[2-oxo-5-phenyl-6-[4-[2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]pyrimidin-2-yl]-1H-pyrazin-3-yl]-4-pyridinyl]-6-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-2-methyl-3-pyridinyl]-6-methoxyphenyl]benzoic acid
CID 123868782
3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(5-methoxy-6-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;3-[3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-1-oxo-2-phenylisoquinolin-8-yl]benzenesulfonamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one
CID 157374644
N-[[5-[4-[(3-amino-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87760866
tert-butyl 7-[3-[6-[[4-[[4-[3-[4-(benzylamino)pyrimidin-2-yl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]methyl]benzoyl]amino]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146275040
N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide
CID 157073938
N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
CID 157590998
N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;4-(hydroxymethyl)-N-[6-[(4-methoxybenzoyl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(3-methylbenzoyl)amino]-2-pyridinyl]benzamide;N-methyl-N-[4-methyl-6-[methyl(octanoyl)amino]-2-pyridinyl]octanamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
CID 157714469
N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 157948171
N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide
CID 158045973
N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 158214039
N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
CID 158260377
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate
CID 158685261

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
The IUPAC name of N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea (CID 159433402) is N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea.
What is the SMILES notation for N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
The canonical SMILES for N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea is CN(C(=O)Nc1ccnc(NC(=O)N(C)c2ccccc2)n1)c1ccccc1.COc1cc(CN)nc(NC(=O)c2cccc(C)c2)n1.COc1cccc(C(=O)N(C)c2nc(OC)cc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nc(Nc3ccccc3)cc(OC)n2)c1.O=C(Nc1ccccc1)Nc1ccnc(NC(=O)Nc2ccccc2)n1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1.O=S(=O)(Nc1ccnc(NS(=O)(=O)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
The InChIKey is LRGNWEKGCAMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2.C19H18N4O3.C18H16N6O2.C18H14N4O4.C16H14N4O4S2.C16H20N4O3.C14H16N4O2/c1-25(15-9-5-3-6-10-15)19(27)23-17-13-14-21-18(22-17)24-20(28)26(2)16-11-7-4-8-12-16;1-25-15-10-6-7-13(11-15)18(24)23-19-21-16(12-17(22-19)26-2)20-14-8-4-3-5-9-14;25-17(20-13-7-3-1-4-8-13)23-15-11-12-19-16(22-15)24-18(26)21-14-9-5-2-6-10-14;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;21-25(22,13-7-3-1-4-8-13)19-15-11-12-17-16(18-15)20-26(23,24)14-9-5-2-6-10-14;1-19(2)13-10-14(23-5)18-16(17-13)20(3)15(21)11-7-6-8-12(9-11)22-4;1-9-4-3-5-10(6-9)13(19)18-14-16-11(8-15)7-12(17-14)20-2/h3-14H,1-2H3,(H2,21,22,23,24,27,28);3-12H,1-2H3,(H2,20,21,22,23,24);1-12H,(H4,19,20,21,22,23,24,25,26);1-12H,(H2,19,20,21,22,23,24);1-12H,(H2,17,18,19,20);6-10H,1-5H3;3-7H,8,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea has a molecular weight of 2404.61 g/mol, XLogP of 20.19, 33 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-6-methoxypyrimidin-2-yl]-3-methylbenzamide;N-(4-anilino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[4-(dimethylamino)-6-methoxypyrimidin-2-yl]-3-methoxy-N-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea is sourced from PubChem (CID 159433402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).