4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine

C11H15N5OS — CID 86795914

IUPAC4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCOc1cc(NCc2csc(NC)n2)ncn1
InChIInChI=1S/C11H15N5OS/c1-3-17-10-4-9(14-7-15-10)13-5-8-6-18-11(12-2)16-8/h4,6-7H,3,5H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyTZKPKPUZEXWDEB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.99
Rot. Bonds6

About 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine

4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 86795914) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID86795914
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCOc1cc(NCc2csc(NC)n2)ncn1
InChIInChI=1S/C11H15N5OS/c1-3-17-10-4-9(14-7-15-10)13-5-8-6-18-11(12-2)16-8/h4,6-7H,3,5H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyTZKPKPUZEXWDEB-UHFFFAOYSA-N
XLogP1.99
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine (CID 86795914) is 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine is CCOc1cc(NCc2csc(NC)n2)ncn1.
What is the InChIKey of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is TZKPKPUZEXWDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-17-10-4-9(14-7-15-10)13-5-8-6-18-11(12-2)16-8/h4,6-7H,3,5H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 265.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86795914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).