4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine

C13H16N4S — CID 79176193

IUPAC4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)ncc1N
InChIInChI=1S/C13H16N4S/c1-7-5-12(15-6-11(7)14)18-13-16-9(3)8(2)10(4)17-13/h5-6H,14H2,1-4H3
InChIKeyLFUCHQIZZUHZPK-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.84
Rot. Bonds2

About 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine

4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine (PubChem CID 79176193) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
PubChem CID79176193
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)ncc1N
InChIInChI=1S/C13H16N4S/c1-7-5-12(15-6-11(7)14)18-13-16-9(3)8(2)10(4)17-13/h5-6H,14H2,1-4H3
InChIKeyLFUCHQIZZUHZPK-UHFFFAOYSA-N
XLogP2.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-6-[(4-methylphenyl)thio]-2-(2-pyridyl)pyrimidine
CID 2725934
2-(Pyridin-2-yl)-4-(m-tolylthio)pyrimidine
CID 11460152
Pyrimidine, 4-methyl-2-((3-nitro-2-pyridinyl)thio)-
CID 153568
4-Amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
CID 2726869
N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 15653033
2-(3-Pyridylmethylthio)pyrimidine-4,6-diamine
CID 845593
N-(2-Methylbutan-2-yl)-N''-(pyridin-3-yl)-N'-(pyrimidin-2-yl)guanidine--hydrogen chloride (1/1)
CID 54607692
4-methyl-N-(pyridin-3-yl)pyrimidin-2-amine
CID 51361044
4,6-Dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine
CID 652518
4-Methyl-2-[(5-nitro-2-pyridinyl)thio]pyrimidine
CID 1090740
4,6-Dimethyl-2-(2-pyridin-4-yl-ethylsulfanyl)-pyrimidine
CID 5307517
5-Methyl-2-((3-nitro-2-pyridinyl)thio)pyrimidine
CID 100512

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
The IUPAC name of 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine (CID 79176193) is 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine is Cc1cc(Sc2nc(C)c(C)c(C)n2)ncc1N.
What is the InChIKey of 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
The InChIKey is LFUCHQIZZUHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-7-5-12(15-6-11(7)14)18-13-16-9(3)8(2)10(4)17-13/h5-6H,14H2,1-4H3.
What are the key properties of 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine has a molecular weight of 260.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 79176193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).