1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium

C78H71Cl6N19O5Y — CID 157412635

IUPAC1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium
SMILESCOc1nc(-n2ccc3c(C#N)cccc32)nc(NCc2ccccc2)c1C.COc1nc(-n2ccc3c(C(N)=O)cccc32)nc(NCc2ccccc2)c1C.COc1nc(Cl)nc(Cl)c1C.COc1nc(Cl)nc(NCc2ccccc2)c1C.Cc1c(Cl)nc(Cl)nc1Cl.Cc1cc2c(C#N)cccc2[nH]1.[Y]
InChIInChI=1S/C22H21N5O2.C22H19N5O.C13H14ClN3O.C10H8N2.C6H6Cl2N2O.C5H3Cl3N2.Y/c1-14-20(24-13-15-7-4-3-5-8-15)25-22(26-21(14)29-2)27-12-11-16-17(19(23)28)9-6-10-18(16)27;1-15-20(24-14-16-7-4-3-5-8-16)25-22(26-21(15)28-2)27-12-11-18-17(13-23)9-6-10-19(18)27;1-9-11(16-13(14)17-12(9)18-2)15-8-10-6-4-3-5-7-10;1-7-5-9-8(6-11)3-2-4-10(9)12-7;1-3-4(7)9-6(8)10-5(3)11-2;1-2-3(6)9-5(8)10-4(2)7;/h3-12H,13H2,1-2H3,(H2,23,28)(H,24,25,26);3-12H,14H2,1-2H3,(H,24,25,26);3-7H,8H2,1-2H3,(H,15,16,17);2-5,12H,1H3;1-2H3;1H3;
InChIKeyBOLRUQKHCGLFJL-UHFFFAOYSA-N
MW1656.18 g/mol
LogP17.92
Rot. Bonds16

About 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium

1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium (PubChem CID 157412635) has the molecular formula C78H71Cl6N19O5Y and a molecular weight of 1656.18 g/mol. Its IUPAC name is 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium.

Molecular Properties

Compound Name1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium
PubChem CID157412635
Molecular FormulaC78H71Cl6N19O5Y
Molecular Weight1656.18 g/mol
Exact Mass1652.31
IUPAC Name1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium
SMILESCOc1nc(-n2ccc3c(C#N)cccc32)nc(NCc2ccccc2)c1C.COc1nc(-n2ccc3c(C(N)=O)cccc32)nc(NCc2ccccc2)c1C.COc1nc(Cl)nc(Cl)c1C.COc1nc(Cl)nc(NCc2ccccc2)c1C.Cc1c(Cl)nc(Cl)nc1Cl.Cc1cc2c(C#N)cccc2[nH]1.[Y]
InChIInChI=1S/C22H21N5O2.C22H19N5O.C13H14ClN3O.C10H8N2.C6H6Cl2N2O.C5H3Cl3N2.Y/c1-14-20(24-13-15-7-4-3-5-8-15)25-22(26-21(14)29-2)27-12-11-16-17(19(23)28)9-6-10-18(16)27;1-15-20(24-14-16-7-4-3-5-8-16)25-22(26-21(15)28-2)27-12-11-18-17(13-23)9-6-10-19(18)27;1-9-11(16-13(14)17-12(9)18-2)15-8-10-6-4-3-5-7-10;1-7-5-9-8(6-11)3-2-4-10(9)12-7;1-3-4(7)9-6(8)10-5(3)11-2;1-2-3(6)9-5(8)10-4(2)7;/h3-12H,13H2,1-2H3,(H2,23,28)(H,24,25,26);3-12H,14H2,1-2H3,(H,24,25,26);3-7H,8H2,1-2H3,(H,15,16,17);2-5,12H,1H3;1-2H3;1H3;
InChIKeyBOLRUQKHCGLFJL-UHFFFAOYSA-N
XLogP17.92
TPSA318.23 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.18
LogP ≤ 517.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium with MolForge

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Related Compounds

1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile
CID 122630782
1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
CID 118141161
5-(azidomethyl)-N-benzyl-2-chloropyrimidin-4-amine;1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-2-methylindole-4-carbonitrile;N-benzyl-2-chloro-5-(chloromethyl)pyrimidin-4-amine;N-benzyl-2-chloro-5-ethylpyrimidin-4-amine;5-(chloromethyl)-1H-pyrimidine-2,4-dione;2,4-dichloro-5-(chloromethyl)pyrimidine;2-methyl-1H-indole-4-carbonitrile
CID 157332373
1-[4-(benzylamino)-6,8,9,10,11,11a-hexahydro-5H-pyrimido[4,5-a]quinolizin-2-yl]-2-methylindole-4-carbonitrile;1-[4-(benzylamino)-6,8,9,10,11,11a-hexahydro-5H-pyrimido[4,5-a]quinolizin-2-yl]-2-methylindole-4-carboxamide
CID 159424791
1-[4-(benzylamino)-5-(methoxymethyl)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141287
1-[4-(benzylamino)-6,7,8,9-tetrahydro-[1,2,4]triazino[6,1-b][1,3]oxazepin-10-ium-2-yl]-2-methoxybenzimidazole-4-carboxamide
CID 175062219
1-[4-(benzylamino)-5-(dimethylamino)pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide
CID 118141224
1-[4-(benzylamino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]azepin-2-yl]-2-methylindole-4-carboxamide
CID 118240512
1-[4-(benzylamino)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-yl]-2-methylindole-4-carboxamide
CID 118239588
[3-[[[2-(4-carbamoyl-2-methoxybenzimidazol-1-yl)-5,6-dimethylpyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205890
1-[4-(benzylamino)-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141204
2-methyl-1H-indole-4-carboxamide;hydrochloride
CID 175902728

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium?
The IUPAC name of 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium (CID 157412635) is 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium.
What is the SMILES notation for 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium?
The canonical SMILES for 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium is COc1nc(-n2ccc3c(C#N)cccc32)nc(NCc2ccccc2)c1C.COc1nc(-n2ccc3c(C(N)=O)cccc32)nc(NCc2ccccc2)c1C.COc1nc(Cl)nc(Cl)c1C.COc1nc(Cl)nc(NCc2ccccc2)c1C.Cc1c(Cl)nc(Cl)nc1Cl.Cc1cc2c(C#N)cccc2[nH]1.[Y].
What is the InChIKey of 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium?
The InChIKey is BOLRUQKHCGLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.C22H19N5O.C13H14ClN3O.C10H8N2.C6H6Cl2N2O.C5H3Cl3N2.Y/c1-14-20(24-13-15-7-4-3-5-8-15)25-22(26-21(14)29-2)27-12-11-16-17(19(23)28)9-6-10-18(16)27;1-15-20(24-14-16-7-4-3-5-8-16)25-22(26-21(15)28-2)27-12-11-18-17(13-23)9-6-10-19(18)27;1-9-11(16-13(14)17-12(9)18-2)15-8-10-6-4-3-5-7-10;1-7-5-9-8(6-11)3-2-4-10(9)12-7;1-3-4(7)9-6(8)10-5(3)11-2;1-2-3(6)9-5(8)10-4(2)7;/h3-12H,13H2,1-2H3,(H2,23,28)(H,24,25,26);3-12H,14H2,1-2H3,(H,24,25,26);3-7H,8H2,1-2H3,(H,15,16,17);2-5,12H,1H3;1-2H3;1H3;.
What are the key properties of 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium?
1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium has a molecular weight of 1656.18 g/mol, XLogP of 17.92, 16 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carbonitrile;1-[4-(benzylamino)-6-methoxy-5-methylpyrimidin-2-yl]indole-4-carboxamide;N-benzyl-2-chloro-6-methoxy-5-methylpyrimidin-4-amine;2,4-dichloro-6-methoxy-5-methylpyrimidine;2-methyl-1H-indole-4-carbonitrile;2,4,6-trichloro-5-methylpyrimidine;yttrium is sourced from PubChem (CID 157412635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).