1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone

C14H15N3OS — CID 83119888

IUPAC1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2nc(C)c(C)c(C)n2)cn1
InChIInChI=1S/C14H15N3OS/c1-8-9(2)16-14(17-10(8)3)19-12-5-6-13(11(4)18)15-7-12/h5-7H,1-4H3
InChIKeyHQELTTFFRWOYLW-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.15
Rot. Bonds3

About 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone

1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone (PubChem CID 83119888) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone
PubChem CID83119888
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2nc(C)c(C)c(C)n2)cn1
InChIInChI=1S/C14H15N3OS/c1-8-9(2)16-14(17-10(8)3)19-12-5-6-13(11(4)18)15-7-12/h5-7H,1-4H3
InChIKeyHQELTTFFRWOYLW-UHFFFAOYSA-N
XLogP3.15
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[5-Chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]sulfanyl}-1-phenyl-1-ethanone
CID 2810506
(5-Methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301035
S-pyrimidin-2-yl quinoline-2-carbothioate
CID 168282541
4-(Pyridine-3-carbonyl)pyrimidine
CID 10535520
1-(1-Benzyl-2,5-dimethylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 2100427
1-Pyridin-3-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 2795626
1-Phenyl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone
CID 2811764
3-(4-Methylpyrimidin-2-yl)sulanyl-1-phenylprop-2-en-1-one
CID 2825785
N-cyclopentyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
CID 71690319
N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
CID 71690320
3,3-Dimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylbutan-2-one
CID 172444597
1-[4-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanylphenyl]ethanone
CID 138981909

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone (CID 83119888) is 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone is CC(=O)c1ccc(Sc2nc(C)c(C)c(C)n2)cn1.
What is the InChIKey of 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone?
The InChIKey is HQELTTFFRWOYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-9(2)16-14(17-10(8)3)19-12-5-6-13(11(4)18)15-7-12/h5-7H,1-4H3.
What are the key properties of 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone?
1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone has a molecular weight of 273.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone is sourced from PubChem (CID 83119888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).