2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine

C11H17N3S — CID 133403626

IUPAC2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine
SMILESCCC1CN(c2ncc(C)cn2)CCS1
InChIInChI=1S/C11H17N3S/c1-3-10-8-14(4-5-15-10)11-12-6-9(2)7-13-11/h6-7,10H,3-5,8H2,1-2H3
InChIKeyAJJLAFTXQBLJBL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.12
Rot. Bonds2

About 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine

2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine (PubChem CID 133403626) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine.

Molecular Properties

Compound Name2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine
PubChem CID133403626
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine
SMILESCCC1CN(c2ncc(C)cn2)CCS1
InChIInChI=1S/C11H17N3S/c1-3-10-8-14(4-5-15-10)11-12-6-9(2)7-13-11/h6-7,10H,3-5,8H2,1-2H3
InChIKeyAJJLAFTXQBLJBL-UHFFFAOYSA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(bromomethyl)pyrimidin-2-yl]-2-ethylthiomorpholine
CID 107085267
4-[4-(2-ethylthiomorpholin-4-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 110189391
2-(2-ethylthiomorpholin-4-yl)pyrimidine-4-carbothioamide
CID 107548124
(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
CID 104874708
(1S)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
CID 104874690
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
4-(2-ethylthiomorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103330530
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
(2S)-2-ethyl-4-methylthiomorpholine
CID 143445778
ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
CID 142345663

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine?
The IUPAC name of 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine (CID 133403626) is 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine.
What is the SMILES notation for 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine?
The canonical SMILES for 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine is CCC1CN(c2ncc(C)cn2)CCS1.
What is the InChIKey of 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine?
The InChIKey is AJJLAFTXQBLJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-10-8-14(4-5-15-10)11-12-6-9(2)7-13-11/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine?
2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine has a molecular weight of 223.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine is sourced from PubChem (CID 133403626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).