2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine

C8H5Br2N3S — CID 102843849

IUPAC2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C8H5Br2N3S/c9-4-3-5(14-7(4)10)8-12-2-1-6(11)13-8/h1-3H,(H2,11,12,13)
InChIKeyBNUGZYVDDLDHPC-UHFFFAOYSA-N
MW335.02 g/mol
LogP3.31
Rot. Bonds1

About 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine

2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine (PubChem CID 102843849) has the molecular formula C8H5Br2N3S and a molecular weight of 335.02 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
PubChem CID102843849
Molecular FormulaC8H5Br2N3S
Molecular Weight335.02 g/mol
Exact Mass332.86
IUPAC Name2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C8H5Br2N3S/c9-4-3-5(14-7(4)10)8-12-2-1-6(11)13-8/h1-3H,(H2,11,12,13)
InChIKeyBNUGZYVDDLDHPC-UHFFFAOYSA-N
XLogP3.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.02
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
CID 102843847
6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843839
[2-(4,5-dibromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 102844254
5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843975
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843992
2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
CID 80537885
[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844249
2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 67175888
2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine
CID 155504472
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 116795301
4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole
CID 102842143

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine (CID 102843849) is 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine is Nc1ccnc(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The InChIKey is BNUGZYVDDLDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2N3S/c9-4-3-5(14-7(4)10)8-12-2-1-6(11)13-8/h1-3H,(H2,11,12,13).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine has a molecular weight of 335.02 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 102843849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).