4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine

C13H22N4OS — CID 106325959

IUPAC4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCN2CCSCC2)n1
InChIInChI=1S/C13H22N4OS/c1-3-18-12-10-11(2)15-13(16-12)14-4-5-17-6-8-19-9-7-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyJZLGUYBVRYOVLC-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.64
Rot. Bonds6

About 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine

4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 106325959) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID106325959
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCN2CCSCC2)n1
InChIInChI=1S/C13H22N4OS/c1-3-18-12-10-11(2)15-13(16-12)14-4-5-17-6-8-19-9-7-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyJZLGUYBVRYOVLC-UHFFFAOYSA-N
XLogP1.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Isopropylamino-4-(2-chloroallyloxy)-6-methyl-pyrimidine
CID 76330728
2-(4-Cyclohexyl-piperazin-1-yl)-4-ethoxy-6-methyl-pyrimidine
CID 656154
2-Pyrimidinamine, 4-methyl-N-(1-methylethyl)-6-(2-methylpropoxy)-
CID 56843735
4-[4-Methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]morpholine
CID 697263
Ethanamine, 2-((2,6-dimethyl-4-pyrimidinyl)oxy)-N,N-dimethyl-, hydrochloride (1:1)
CID 51293
Ethanamine, N,N-diethyl-2-((2,6-dimethyl-4-pyrimidinyl)oxy)-, monohydrochloride
CID 51295
N-[1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 53580426
1-[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 53609919
1-[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone
CID 53612468
4-[4-Methyl-6-(prop-2-EN-1-yloxy)pyrimidin-2-YL]morpholine
CID 6620727
4-(4-Ethoxy-6-methylpyrimidin-2-yl)morpholine
CID 1832287
4-(4-Butoxy-6-methylpyrimidin-2-yl)morpholine
CID 1946957

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine (CID 106325959) is 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine is CCOc1cc(C)nc(NCCN2CCSCC2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is JZLGUYBVRYOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-18-12-10-11(2)15-13(16-12)14-4-5-17-6-8-19-9-7-17/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 282.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 106325959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).