[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine

C12H20N4S — CID 114206031

IUPAC[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine
SMILESCCc1nc(C2CSCCN2C)ncc1CN
InChIInChI=1S/C12H20N4S/c1-3-10-9(6-13)7-14-12(15-10)11-8-17-5-4-16(11)2/h7,11H,3-6,8,13H2,1-2H3
InChIKeyAJADAIBPZNKVEG-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.22
Rot. Bonds3

About [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine

[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine (PubChem CID 114206031) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine
PubChem CID114206031
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine
SMILESCCc1nc(C2CSCCN2C)ncc1CN
InChIInChI=1S/C12H20N4S/c1-3-10-9(6-13)7-14-12(15-10)11-8-17-5-4-16(11)2/h7,11H,3-6,8,13H2,1-2H3
InChIKeyAJADAIBPZNKVEG-UHFFFAOYSA-N
XLogP1.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine (CID 114206031) is [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine is CCc1nc(C2CSCCN2C)ncc1CN.
What is the InChIKey of [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine?
The InChIKey is AJADAIBPZNKVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-10-9(6-13)7-14-12(15-10)11-8-17-5-4-16(11)2/h7,11H,3-6,8,13H2,1-2H3.
What are the key properties of [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine?
[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine has a molecular weight of 252.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).