2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile

C11H15N5S — CID 15744710

IUPAC2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(N2CCCCC2)c1C#N
InChIInChI=1S/C11H15N5S/c1-17-10-8(7-12)9(14-11(13)15-10)16-5-3-2-4-6-16/h2-6H2,1H3,(H2,13,14,15)
InChIKeyJSZVJBPCJMIVOO-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.64
Rot. Bonds2

About 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile

2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile (PubChem CID 15744710) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile
PubChem CID15744710
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(N2CCCCC2)c1C#N
InChIInChI=1S/C11H15N5S/c1-17-10-8(7-12)9(14-11(13)15-10)16-5-3-2-4-6-16/h2-6H2,1H3,(H2,13,14,15)
InChIKeyJSZVJBPCJMIVOO-UHFFFAOYSA-N
XLogP1.64
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2726800
5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-
CID 820634
6-Chloro-2-methylsulfanyl-4-(1-piperidyl)pyrimidine-5-carbonitrile
CID 15654792
4-Amino-6-methylsulfanyl-2-morpholin-4-ylpyrimidine-5-carbonitrile
CID 12662939
4-(Dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 2801175
4-Amino-2-(dimethylamino)-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 10586527
4-Amino-2-hexylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 10902084
4-Amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 11345831
4-Amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile
CID 11746608
N,N-diethyl-5-methyl-2,6-bis(methylsulfanyl)pyrimidin-4-amine
CID 14141458
4-Amino-2-(butylthio)-6-(methylthio)pyrimidine-5-carbonitrile
CID 11207546
4-Amino-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 11447482

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile (CID 15744710) is 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile is CSc1nc(N)nc(N2CCCCC2)c1C#N.
What is the InChIKey of 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile?
The InChIKey is JSZVJBPCJMIVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-17-10-8(7-12)9(14-11(13)15-10)16-5-3-2-4-6-16/h2-6H2,1H3,(H2,13,14,15).
What are the key properties of 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile?
2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile has a molecular weight of 249.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 15744710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).