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

C13H22N4OS — CID 106325943

IUPAC6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCN2CCSCC2)nc(C)n1
InChIInChI=1S/C13H22N4OS/c1-3-18-13-10-12(15-11(2)16-13)14-4-5-17-6-8-19-9-7-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyTYPNXFYSHSYPHI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.64
Rot. Bonds6

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

6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 106325943) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID106325943
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCN2CCSCC2)nc(C)n1
InChIInChI=1S/C13H22N4OS/c1-3-18-13-10-12(15-11(2)16-13)14-4-5-17-6-8-19-9-7-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyTYPNXFYSHSYPHI-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

4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
CID 106325959
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 114174035
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 115306618
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
2-N-propyl-6-N-(2-thiomorpholin-4-ylethyl)pyridine-2,6-diamine
CID 106327485
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66330187
2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327505
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
1-[2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 66332703

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (CID 106325943) is 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is CCOc1cc(NCCN2CCSCC2)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is TYPNXFYSHSYPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-18-13-10-12(15-11(2)16-13)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 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-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 6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 106325943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).