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-methoxybenzamide;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

C120H116N32O20S2 — CID 160577213

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-methoxybenzamide;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)Nc2nc(Nc3ccccc3)cc(OC)n2)c1.COc1cccc(C(=O)Nc2nc(OC)cc(N(C)C)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.C15H18N4O3.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)12-9-13(22-4)17-15(16-12)18-14(20)10-6-5-7-11(8-10)21-3;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);5-9H,1-4H3,(H,16,17,18,20);3-7H,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyRBHRQYUJGXNAHU-UHFFFAOYSA-N
MW2390.59 g/mol
LogP20.16
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-methoxybenzamide;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-methoxybenzamide;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 160577213) has the molecular formula C120H116N32O20S2 and a molecular weight of 2390.59 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-methoxybenzamide;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-methoxybenzamide;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 CID160577213
Molecular FormulaC120H116N32O20S2
Molecular Weight2390.59 g/mol
Exact Mass2388.85
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-methoxybenzamide;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)Nc2nc(Nc3ccccc3)cc(OC)n2)c1.COc1cccc(C(=O)Nc2nc(OC)cc(N(C)C)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.C15H18N4O3.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)12-9-13(22-4)17-15(16-12)18-14(20)10-6-5-7-11(8-10)21-3;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);5-9H,1-4H3,(H,16,17,18,20);3-7H,8,15H2,1-2H3,(H,16,17,18,19)
InChIKeyRBHRQYUJGXNAHU-UHFFFAOYSA-N
XLogP20.16
TPSA671.14 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002390.59
LogP ≤ 520.16
H-Bond Donors ≤ 515
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-methoxybenzamide;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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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-methoxybenzamide;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-methoxybenzamide;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 160577213) 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-methoxybenzamide;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-methoxybenzamide;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-methoxybenzamide;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)Nc2nc(Nc3ccccc3)cc(OC)n2)c1.COc1cccc(C(=O)Nc2nc(OC)cc(N(C)C)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-methoxybenzamide;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 RBHRQYUJGXNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2.C19H18N4O3.C18H16N6O2.C18H14N4O4.C16H14N4O4S2.C15H18N4O3.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)12-9-13(22-4)17-15(16-12)18-14(20)10-6-5-7-11(8-10)21-3;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);5-9H,1-4H3,(H,16,17,18,20);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-methoxybenzamide;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-methoxybenzamide;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 2390.59 g/mol, XLogP of 20.16, 33 rotatable bonds, 15 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-methoxybenzamide;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 160577213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).