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

C19H20N6OS — CID 121284881

IUPAC1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
SMILESCSc1cc(Nc2cc(Nc3cccnc3C)c(C(C)=O)cn2)nc(C)n1
InChIInChI=1S/C19H20N6OS/c1-11-15(6-5-7-20-11)24-16-8-17(21-10-14(16)12(2)26)25-18-9-19(27-4)23-13(3)22-18/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyCZHNFZAFLNHKLN-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.30
Rot. Bonds6

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

1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone (PubChem CID 121284881) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
PubChem CID121284881
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone
SMILESCSc1cc(Nc2cc(Nc3cccnc3C)c(C(C)=O)cn2)nc(C)n1
InChIInChI=1S/C19H20N6OS/c1-11-15(6-5-7-20-11)24-16-8-17(21-10-14(16)12(2)26)25-18-9-19(27-4)23-13(3)22-18/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyCZHNFZAFLNHKLN-UHFFFAOYSA-N
XLogP4.30
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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8-Heteroarylthiomethyldipyridodiazepinone deriv. 11
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8-Heteroarylthiomethyldipyridodiazepinone deriv. 14
CID 515049
N-(2-aminophenyl)-4-((4-(6-(methylthio)pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide
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(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(pyridin-3-yl)methanone
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N-(6-methylpyridin-2-yl)-2-(methylsulfanyl)pyridine-3-carboxamide
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(R)-6-(3-Hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(6-((trifluoromethyl)thio)pyridin-3-yl)nicotinamide
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US11241428, Example 29
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N-[2-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]ethyl]pyridine-3-carboxamide
CID 46974111

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone (CID 121284881) is 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone is CSc1cc(Nc2cc(Nc3cccnc3C)c(C(C)=O)cn2)nc(C)n1.
What is the InChIKey of 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The InChIKey is CZHNFZAFLNHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-11-15(6-5-7-20-11)24-16-8-17(21-10-14(16)12(2)26)25-18-9-19(27-4)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-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone?
1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone has a molecular weight of 380.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 121284881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).