2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine

C12H15N3OS — CID 102838552

IUPAC2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(-c2ccsc2C)n1
InChIInChI=1S/C12H15N3OS/c1-3-16-7-12-14-10(6-11(13)15-12)9-4-5-17-8(9)2/h4-6H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyCUMMSIFVOAQZJB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.63
Rot. Bonds4

About 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine

2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine (PubChem CID 102838552) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
PubChem CID102838552
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(-c2ccsc2C)n1
InChIInChI=1S/C12H15N3OS/c1-3-16-7-12-14-10(6-11(13)15-12)9-4-5-17-8(9)2/h4-6H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyCUMMSIFVOAQZJB-UHFFFAOYSA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine (CID 102838552) is 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine is CCOCc1nc(N)cc(-c2ccsc2C)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The InChIKey is CUMMSIFVOAQZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-16-7-12-14-10(6-11(13)15-12)9-4-5-17-8(9)2/h4-6H,3,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(2-methylthiophen-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 102838552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).