1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine

C16H27N5OS — CID 72901351

IUPAC1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(NCCN3CCOCC3)CC2)n1
InChIInChI=1S/C16H27N5OS/c1-23-16-18-5-2-15(19-16)21-7-3-14(4-8-21)17-6-9-20-10-12-22-13-11-20/h2,5,14,17H,3-4,6-13H2,1H3
InChIKeyJTXZWVRCULKESL-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.09
Rot. Bonds6

About 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine

1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine (PubChem CID 72901351) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
PubChem CID72901351
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(NCCN3CCOCC3)CC2)n1
InChIInChI=1S/C16H27N5OS/c1-23-16-18-5-2-15(19-16)21-7-3-14(4-8-21)17-6-9-20-10-12-22-13-11-20/h2,5,14,17H,3-4,6-13H2,1H3
InChIKeyJTXZWVRCULKESL-UHFFFAOYSA-N
XLogP1.09
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine (CID 72901351) is 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine is CSc1nccc(N2CCC(NCCN3CCOCC3)CC2)n1.
What is the InChIKey of 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is JTXZWVRCULKESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-23-16-18-5-2-15(19-16)21-7-3-14(4-8-21)17-6-9-20-10-12-22-13-11-20/h2,5,14,17H,3-4,6-13H2,1H3.
What are the key properties of 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 337.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 72901351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).