5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine

C13H16BrN3S — CID 66305015

IUPAC5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccs2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C13H16BrN3S/c1-13(2,3)10-9(14)12(15-4)17-11(16-10)8-6-5-7-18-8/h5-7H,1-4H3,(H,15,16,17)
InChIKeyRWOGJOWOWUIHDA-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.31
Rot. Bonds2

About 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine

5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 66305015) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID66305015
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccs2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C13H16BrN3S/c1-13(2,3)10-9(14)12(15-4)17-11(16-10)8-6-5-7-18-8/h5-7H,1-4H3,(H,15,16,17)
InChIKeyRWOGJOWOWUIHDA-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine (CID 66305015) is 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine is CNc1nc(-c2cccs2)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is RWOGJOWOWUIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-13(2,3)10-9(14)12(15-4)17-11(16-10)8-6-5-7-18-8/h5-7H,1-4H3,(H,15,16,17).
What are the key properties of 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine?
5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 326.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66305015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).