5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

C11H12BrN3OS — CID 66297571

IUPAC5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccc(C)s2)nc(N)c1Br
InChIInChI=1S/C11H12BrN3OS/c1-6-3-4-8(17-6)11-14-7(5-16-2)9(12)10(13)15-11/h3-4H,5H2,1-2H3,(H2,13,14,15)
InChIKeyZDZAYIORBCIHDA-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 66297571) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID66297571
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccc(C)s2)nc(N)c1Br
InChIInChI=1S/C11H12BrN3OS/c1-6-3-4-8(17-6)11-14-7(5-16-2)9(12)10(13)15-11/h3-4H,5H2,1-2H3,(H2,13,14,15)
InChIKeyZDZAYIORBCIHDA-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 66297571) is 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is COCc1nc(-c2ccc(C)s2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is ZDZAYIORBCIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-6-3-4-8(17-6)11-14-7(5-16-2)9(12)10(13)15-11/h3-4H,5H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 314.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66297571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).