2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone

C17H26N4O2S — CID 50840610

IUPAC2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCCC1CCCCN1c1cc(SCC(=O)N2CCOCC2)ncn1
InChIInChI=1S/C17H26N4O2S/c1-2-14-5-3-4-6-21(14)15-11-16(19-13-18-15)24-12-17(22)20-7-9-23-10-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeyGNBHXKAVQDELAI-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.20
Rot. Bonds5

About 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone

2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 50840610) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID50840610
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCCC1CCCCN1c1cc(SCC(=O)N2CCOCC2)ncn1
InChIInChI=1S/C17H26N4O2S/c1-2-14-5-3-4-6-21(14)15-11-16(19-13-18-15)24-12-17(22)20-7-9-23-10-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeyGNBHXKAVQDELAI-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone (CID 50840610) is 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone is CCC1CCCCN1c1cc(SCC(=O)N2CCOCC2)ncn1.
What is the InChIKey of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is GNBHXKAVQDELAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-2-14-5-3-4-6-21(14)15-11-16(19-13-18-15)24-12-17(22)20-7-9-23-10-8-20/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 350.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 50840610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).