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

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 Name: 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
• Molecular Formula: C₇₈H₇₁Cl₆N₁₉O₅Y
• Molecular Weight: 1656.18 g/mol
• Exact Mass: 1652.31
• IUPAC Name: 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
• SMILES: 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]
• InChI: 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
• InChIKey: BOLRUQKHCGLFJL-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 318.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.18
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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).

Sources

• PubChem CID 157412635 — identifiers, structure, computed properties (public domain)

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