5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine

C12H14BrN3S — CID 66297712

IUPAC5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(C)sc2C)nc(N)c1Br
InChIInChI=1S/C12H14BrN3S/c1-4-9-10(13)11(14)16-12(15-9)8-5-6(2)17-7(8)3/h5H,4H2,1-3H3,(H2,14,15,16)
InChIKeyKMTNYYUCVUTEOY-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.73
Rot. Bonds2

About 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine

5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine (PubChem CID 66297712) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine
PubChem CID66297712
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(C)sc2C)nc(N)c1Br
InChIInChI=1S/C12H14BrN3S/c1-4-9-10(13)11(14)16-12(15-9)8-5-6(2)17-7(8)3/h5H,4H2,1-3H3,(H2,14,15,16)
InChIKeyKMTNYYUCVUTEOY-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine (CID 66297712) is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine is CCc1nc(-c2cc(C)sc2C)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is KMTNYYUCVUTEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-4-9-10(13)11(14)16-12(15-9)8-5-6(2)17-7(8)3/h5H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine?
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 312.24 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 66297712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).