5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine

C12H12Br3N3S — CID 102843975

IUPAC5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cc(Br)c(Br)s2)nc(N)c1Br
InChIInChI=1S/C12H12Br3N3S/c1-12(2,3)8-7(14)10(16)18-11(17-8)6-4-5(13)9(15)19-6/h4H,1-3H3,(H2,16,17,18)
InChIKeyICKFUDVPBDVZCZ-UHFFFAOYSA-N
MW470.03 g/mol
LogP5.37
Rot. Bonds1

About 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine (PubChem CID 102843975) has the molecular formula C12H12Br3N3S and a molecular weight of 470.03 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
PubChem CID102843975
Molecular FormulaC12H12Br3N3S
Molecular Weight470.03 g/mol
Exact Mass466.83
IUPAC Name5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cc(Br)c(Br)s2)nc(N)c1Br
InChIInChI=1S/C12H12Br3N3S/c1-12(2,3)8-7(14)10(16)18-11(17-8)6-4-5(13)9(15)19-6/h4H,1-3H3,(H2,16,17,18)
InChIKeyICKFUDVPBDVZCZ-UHFFFAOYSA-N
XLogP5.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.03
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine
CID 66304612
6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843839
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843992
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 66297120
5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine
CID 107504344
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
5-bromo-6-tert-butyl-2-(1,5-dimethylpyrazol-4-yl)pyrimidin-4-amine
CID 79584597
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843849
5-bromo-6-tert-butyl-2-(furan-3-yl)pyrimidin-4-amine
CID 66307204
5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 66306206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine (CID 102843975) is 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine is CC(C)(C)c1nc(-c2cc(Br)c(Br)s2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The InChIKey is ICKFUDVPBDVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br3N3S/c1-12(2,3)8-7(14)10(16)18-11(17-8)6-4-5(13)9(15)19-6/h4H,1-3H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine has a molecular weight of 470.03 g/mol, XLogP of 5.37, 1 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-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 102843975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).