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

C19H20N6O3S — CID 121284888

IUPAC1-[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
InChIInChI=1S/C19H20N6O3S/c1-11-15(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/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyUJFBSHUKPQIOLH-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.98
Rot. Bonds6

About 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-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 121284888) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
PubChem CID121284888
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name1-[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
InChIInChI=1S/C19H20N6O3S/c1-11-15(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/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyUJFBSHUKPQIOLH-UHFFFAOYSA-N
XLogP2.98
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

8-Heteroarylthiomethyldipyridodiazepinone deriv. 17
CID 515052
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
N-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201718
US10450297, Example 25
CID 57584771
N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71728280
N-tert-butyl-2-(2-(methylsulfonyl)pyridin-4-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295780
N-tert-butyl-2-(6-(methylsulfonyl)pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295949
US11377438, Example 140
CID 146525685
US11377438, Example 149
CID 146525720
US11377438, Example 86
CID 146525750
US11377438, Example 148
CID 146525870

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone (CID 121284888) is 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 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.
What is the InChIKey of 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The InChIKey is UJFBSHUKPQIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-11-15(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/h5-10H,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-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 412.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 121284888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).