5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate

C112H98N18O10S2 — CID 159335695

IUPAC5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate
SMILESCc1cc(N)c(-c2ccccc2)nc1-c1ccc(S(C)(=O)=O)nc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3ccc(S(C)(=O)=O)nc3)nc2-c2ccccc2)cc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C)nc3)nc2-c2ccccc2)cc1.Cc1ncc(-c2nc(-c3ccccc3)c(N)cc2C)cn1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)c(NC(=O)Oc3ccc(C)cc3)cc2C)cn1
InChIInChI=1S/C26H20N4O2.C26H23N3O4S.C25H22N4O2.C18H17N3O2S.C17H16N4/c1-17-9-12-21(13-10-17)32-26(31)29-22-15-18(2)24(20-11-14-23(27-3)28-16-20)30-25(22)19-7-5-4-6-8-19;1-17-9-12-21(13-10-17)33-26(30)28-22-15-18(2)24(29-25(22)19-7-5-4-6-8-19)20-11-14-23(27-16-20)34(3,31)32;1-16-9-11-21(12-10-16)31-25(30)28-22-13-17(2)23(20-14-26-18(3)27-15-20)29-24(22)19-7-5-4-6-8-19;1-12-10-15(19)18(13-6-4-3-5-7-13)21-17(12)14-8-9-16(20-11-14)24(2,22)23;1-11-8-15(18)17(13-6-4-3-5-7-13)21-16(11)14-9-19-12(2)20-10-14/h4-16H,1-2H3,(H,29,31);4-16H,1-3H3,(H,28,30);4-15H,1-3H3,(H,28,30);3-11H,19H2,1-2H3;3-10H,18H2,1-2H3
InChIKeyLFMSSDTVLNRGIJ-UHFFFAOYSA-N
MW1920.27 g/mol
LogP24.28
Rot. Bonds18

About 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate

5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate (PubChem CID 159335695) has the molecular formula C112H98N18O10S2 and a molecular weight of 1920.27 g/mol. Its IUPAC name is 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Name5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate
PubChem CID159335695
Molecular FormulaC112H98N18O10S2
Molecular Weight1920.27 g/mol
Exact Mass1918.72
IUPAC Name5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate
SMILESCc1cc(N)c(-c2ccccc2)nc1-c1ccc(S(C)(=O)=O)nc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3ccc(S(C)(=O)=O)nc3)nc2-c2ccccc2)cc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C)nc3)nc2-c2ccccc2)cc1.Cc1ncc(-c2nc(-c3ccccc3)c(N)cc2C)cn1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)c(NC(=O)Oc3ccc(C)cc3)cc2C)cn1
InChIInChI=1S/C26H20N4O2.C26H23N3O4S.C25H22N4O2.C18H17N3O2S.C17H16N4/c1-17-9-12-21(13-10-17)32-26(31)29-22-15-18(2)24(20-11-14-23(27-3)28-16-20)30-25(22)19-7-5-4-6-8-19;1-17-9-12-21(13-10-17)33-26(30)28-22-15-18(2)24(29-25(22)19-7-5-4-6-8-19)20-11-14-23(27-16-20)34(3,31)32;1-16-9-11-21(12-10-16)31-25(30)28-22-13-17(2)23(20-14-26-18(3)27-15-20)29-24(22)19-7-5-4-6-8-19;1-12-10-15(19)18(13-6-4-3-5-7-13)21-17(12)14-8-9-16(20-11-14)24(2,22)23;1-11-8-15(18)17(13-6-4-3-5-7-13)21-16(11)14-9-19-12(2)20-10-14/h4-16H,1-2H3,(H,29,31);4-16H,1-3H3,(H,28,30);4-15H,1-3H3,(H,28,30);3-11H,19H2,1-2H3;3-10H,18H2,1-2H3
InChIKeyLFMSSDTVLNRGIJ-UHFFFAOYSA-N
XLogP24.28
TPSA394.35 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.27
LogP ≤ 524.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate?
The IUPAC name of 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate (CID 159335695) is 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate.
What is the SMILES notation for 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate?
The canonical SMILES for 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate is Cc1cc(N)c(-c2ccccc2)nc1-c1ccc(S(C)(=O)=O)nc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3ccc(S(C)(=O)=O)nc3)nc2-c2ccccc2)cc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C)nc3)nc2-c2ccccc2)cc1.Cc1ncc(-c2nc(-c3ccccc3)c(N)cc2C)cn1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)c(NC(=O)Oc3ccc(C)cc3)cc2C)cn1.
What is the InChIKey of 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate?
The InChIKey is LFMSSDTVLNRGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2.C26H23N3O4S.C25H22N4O2.C18H17N3O2S.C17H16N4/c1-17-9-12-21(13-10-17)32-26(31)29-22-15-18(2)24(20-11-14-23(27-3)28-16-20)30-25(22)19-7-5-4-6-8-19;1-17-9-12-21(13-10-17)33-26(30)28-22-15-18(2)24(29-25(22)19-7-5-4-6-8-19)20-11-14-23(27-16-20)34(3,31)32;1-16-9-11-21(12-10-16)31-25(30)28-22-13-17(2)23(20-14-26-18(3)27-15-20)29-24(22)19-7-5-4-6-8-19;1-12-10-15(19)18(13-6-4-3-5-7-13)21-17(12)14-8-9-16(20-11-14)24(2,22)23;1-11-8-15(18)17(13-6-4-3-5-7-13)21-16(11)14-9-19-12(2)20-10-14/h4-16H,1-2H3,(H,29,31);4-16H,1-3H3,(H,28,30);4-15H,1-3H3,(H,28,30);3-11H,19H2,1-2H3;3-10H,18H2,1-2H3.
What are the key properties of 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate?
5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate has a molecular weight of 1920.27 g/mol, XLogP of 24.28, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenylpyridin-3-amine;5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-(6-isocyano-3-pyridinyl)-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(6-methylsulfonyl-3-pyridinyl)-2-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 159335695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).