5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine

C12H13Br2N3S — CID 66304612

IUPAC5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cc(Br)cs2)nc(N)c1Br
InChIInChI=1S/C12H13Br2N3S/c1-12(2,3)9-8(14)10(15)17-11(16-9)7-4-6(13)5-18-7/h4-5H,1-3H3,(H2,15,16,17)
InChIKeyMTQXMRMSKXSCBZ-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.61
Rot. Bonds1

About 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine

5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine (PubChem CID 66304612) has the molecular formula C12H13Br2N3S and a molecular weight of 391.13 g/mol. Its IUPAC name is 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine
PubChem CID66304612
Molecular FormulaC12H13Br2N3S
Molecular Weight391.13 g/mol
Exact Mass388.92
IUPAC Name5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cc(Br)cs2)nc(N)c1Br
InChIInChI=1S/C12H13Br2N3S/c1-12(2,3)9-8(14)10(15)17-11(16-9)7-4-6(13)5-18-7/h4-5H,1-3H3,(H2,15,16,17)
InChIKeyMTQXMRMSKXSCBZ-UHFFFAOYSA-N
XLogP4.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine (CID 66304612) is 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine is CC(C)(C)c1nc(-c2cc(Br)cs2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine?
The InChIKey is MTQXMRMSKXSCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3S/c1-12(2,3)9-8(14)10(15)17-11(16-9)7-4-6(13)5-18-7/h4-5H,1-3H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine?
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine has a molecular weight of 391.13 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine is sourced from PubChem (CID 66304612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).