methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone

C39H46N14O4S — CID 158188424

IUPACmethanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cnc(Nc2cc(S(C)(=O)=O)nc(C)n2)cc1Nc1cccnc1C.CN.CNc1cc(Nc2cc(Nc3cccnc3C)c(C(C)=O)cn2)nc(C)n1
InChIInChI=1S/C19H21N7O.C19H20N6O3S.CH5N/c1-11-15(6-5-7-21-11)25-16-8-18(22-10-14(16)12(2)27)26-19-9-17(20-4)23-13(3)24-19;1-11-15(6-5-7-20-11)24-16-8-17(21-10-14(16)12(2)26)25-18-9-19(29(4,27)28)23-13(3)22-18;1-2/h5-10H,1-4H3,(H3,20,22,23,24,25,26);5-10H,1-4H3,(H2,21,22,23,24,25);2H2,1H3
InChIKeyFZKYJFINROTMAD-UHFFFAOYSA-N
MW806.96 g/mol
LogP6.17
Rot. Bonds12

About methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone

methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone (PubChem CID 158188424) has the molecular formula C39H46N14O4S and a molecular weight of 806.96 g/mol. Its IUPAC name is methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Namemethanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
PubChem CID158188424
Molecular FormulaC39H46N14O4S
Molecular Weight806.96 g/mol
Exact Mass806.35
IUPAC Namemethanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cnc(Nc2cc(S(C)(=O)=O)nc(C)n2)cc1Nc1cccnc1C.CN.CNc1cc(Nc2cc(Nc3cccnc3C)c(C(C)=O)cn2)nc(C)n1
InChIInChI=1S/C19H21N7O.C19H20N6O3S.CH5N/c1-11-15(6-5-7-21-11)25-16-8-18(22-10-14(16)12(2)27)26-19-9-17(20-4)23-13(3)24-19;1-11-15(6-5-7-20-11)24-16-8-17(21-10-14(16)12(2)26)25-18-9-19(29(4,27)28)23-13(3)22-18;1-2/h5-10H,1-4H3,(H3,20,22,23,24,25,26);5-10H,1-4H3,(H2,21,22,23,24,25);2H2,1H3
InChIKeyFZKYJFINROTMAD-UHFFFAOYSA-N
XLogP6.17
TPSA257.57 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500806.96
LogP ≤ 56.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(4,4-difluoro-3-methylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158871474
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167671849
1-[6-[[6-[(3-Methylsulfonyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-(trifluoromethyl)-3-pyridinyl]ethanone
CID 172624421
N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide
CID 59607029
1-(5-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-6-(5-(phenylsulfonyl)pyridin-3-ylamino)pyridin-3-YL)ethanone
CID 66611574
1-[6-[(2-Methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
CID 121284881
1-[6-[(2-Methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
CID 121284888
1-(5-Ethylpyrimidin-2-yl)-4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]piperidin-3-one
CID 144033878
1-(5-Ethylpyrimidin-2-yl)-5-methyl-4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]piperidin-3-one
CID 144034247
2-[[4-ethyl-6-[4-[[4-[[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-4-carbonyl]amino]phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpyridine-3-carboxamide
CID 144105594
6-[(6-cyclopropyl-2-methylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 149843464
4-[[6-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427446

Frequently Asked Questions

What is the IUPAC name of methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone (CID 158188424) is methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone is CC(=O)c1cnc(Nc2cc(S(C)(=O)=O)nc(C)n2)cc1Nc1cccnc1C.CN.CNc1cc(Nc2cc(Nc3cccnc3C)c(C(C)=O)cn2)nc(C)n1.
What is the InChIKey of methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The InChIKey is FZKYJFINROTMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O.C19H20N6O3S.CH5N/c1-11-15(6-5-7-21-11)25-16-8-18(22-10-14(16)12(2)27)26-19-9-17(20-4)23-13(3)24-19;1-11-15(6-5-7-20-11)24-16-8-17(21-10-14(16)12(2)26)25-18-9-19(29(4,27)28)23-13(3)22-18;1-2/h5-10H,1-4H3,(H3,20,22,23,24,25,26);5-10H,1-4H3,(H2,21,22,23,24,25);2H2,1H3.
What are the key properties of methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone has a molecular weight of 806.96 g/mol, XLogP of 6.17, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-[6-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone;1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 158188424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).