6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

C17H20N6S — CID 154828905

IUPAC6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(SC)n1
InChIInChI=1S/C17H20N6S/c1-3-13-11-16(21-17(20-13)24-2)23-9-7-22(8-10-23)15-6-4-5-14(12-18)19-15/h4-6,11H,3,7-10H2,1-2H3
InChIKeyYPALOIYICAJAHB-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.35
Rot. Bonds4

About 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 154828905) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID154828905
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(SC)n1
InChIInChI=1S/C17H20N6S/c1-3-13-11-16(21-17(20-13)24-2)23-9-7-22(8-10-23)15-6-4-5-14(12-18)19-15/h4-6,11H,3,7-10H2,1-2H3
InChIKeyYPALOIYICAJAHB-UHFFFAOYSA-N
XLogP2.35
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine
CID 163343966
6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 50960880
6-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146079870
2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 64590131
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154829125
4-[[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 154853553
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
6-(4-methyl-3-oxopiperazin-1-yl)pyridine-2-carbonitrile
CID 64681399
6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 66201042
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716
6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133310020

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 154828905) is 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is CCc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(SC)n1.
What is the InChIKey of 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is YPALOIYICAJAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-3-13-11-16(21-17(20-13)24-2)23-9-7-22(8-10-23)15-6-4-5-14(12-18)19-15/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 340.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 154828905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).