About N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid
N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid (PubChem CID 159232452) has the molecular formula C74H64Cl3F3N12O9
and a molecular weight of 1428.75 g/mol. Its IUPAC name is N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid.
Analyze N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The IUPAC name of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid (CID 159232452) is N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid.
What is the SMILES notation for N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The canonical SMILES for N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid is CN(C)c1nc(Cc2ccc(NC(=O)OCc3ccc(C(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(Cl)c1CC(N)=O.O=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1Cl.
What is the InChIKey of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The InChIKey is KTBRCOYPINKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2.C24H17Cl2N3O3.C24H23F3N4O4/c1-32(2)25-21(15-22(28)33)24(27)30-23(31-25)13-16-7-11-20(12-8-16)29-26(34)19-10-9-17-5-3-4-6-18(17)14-19;25-22-19(13-21(30)31)23(26)29-20(28-22)11-14-5-9-18(10-6-14)27-24(32)17-8-7-15-3-1-2-4-16(15)12-17;1-31(2)22-17(12-21(32)33)13-28-20(30-22)11-15-5-9-19(10-6-15)29-23(34)35-14-16-3-7-18(8-4-16)24(25,26)27/h3-12,14H,13,15H2,1-2H3,(H2,28,33)(H,29,34);1-10,12H,11,13H2,(H,27,32)(H,30,31);3-10,13H,11-12,14H2,1-2H3,(H,29,34)(H,32,33).
What are the key properties of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid has a molecular weight of 1428.75 g/mol, XLogP of 14.15, 21 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 159232452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).