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

C10H8Br3N3S — CID 102843992

IUPAC5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)c(Br)s2)nc(N)c1Br
InChIInChI=1S/C10H8Br3N3S/c1-2-5-7(12)9(14)16-10(15-5)6-3-4(11)8(13)17-6/h3H,2H2,1H3,(H2,14,15,16)
InChIKeyHEYJWWILNDALAK-UHFFFAOYSA-N
MW441.97 g/mol
LogP4.64
Rot. Bonds2

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

5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine (PubChem CID 102843992) has the molecular formula C10H8Br3N3S and a molecular weight of 441.97 g/mol. Its IUPAC name is 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
PubChem CID102843992
Molecular FormulaC10H8Br3N3S
Molecular Weight441.97 g/mol
Exact Mass438.80
IUPAC Name5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)c(Br)s2)nc(N)c1Br
InChIInChI=1S/C10H8Br3N3S/c1-2-5-7(12)9(14)16-10(15-5)6-3-4(11)8(13)17-6/h3H,2H2,1H3,(H2,14,15,16)
InChIKeyHEYJWWILNDALAK-UHFFFAOYSA-N
XLogP4.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.97
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843991
5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843975
2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102843905
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 102843910
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 102844007
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-ethylpyrimidin-4-amine
CID 66297712
5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 102844115
6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843839
5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 66307530
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 112671013
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102844042
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine (CID 102843992) is 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine is CCc1nc(-c2cc(Br)c(Br)s2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is HEYJWWILNDALAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br3N3S/c1-2-5-7(12)9(14)16-10(15-5)6-3-4(11)8(13)17-6/h3H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine?
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 441.97 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 102843992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).